Geometry & MOs

Info

ID:

318708

PubChem CID:

126652796

Reduced:

N7H61C84 (1)

Stoich.:

A7B61C84 (1)

Weight, g/mol:

770.340947

ΔHf, kcal/mol:

414.57

Dipole, Da:

3.17

IP(EA), eV:

 -7.8(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-methyl-N-phenyl-N-[3-[[2-[4-(N-phenylanilino)phenyl]carbazol-9-yl]methyl]phenyl]carbazol-2-amine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C5=CC=CC=C5N(C4=C3)C6=CC=CC(=C6)N=C/C(=C\7/C=C(C=CC7=NC)N8C9=C(C=C(C=C9)N(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C18)/N1C2=C(C=C(C=C2)N(C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=CC=C21)C

DOS

IR

Vibrations