Geometry & MOs

Info

ID:

319515

PubChem CID:

126656513

Reduced:

ON2H40C57 (1)

Stoich.:

AB2C40D57 (1)

Weight, g/mol:

702.267114

ΔHf, kcal/mol:

200.99

Dipole, Da:

0.74

IP(EA), eV:

 -7.84(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-phenyl-N-[4-[4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-5-yl)phenyl]phenyl]naphthalen-2-amine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=C6C7=CC=CC=C7N(C6=C8C(=C5)C9=CC=CC=C9O8)C1=CC=CC=C1)C1=CC=CC=C1C1=CC=CC=C1)C

DOS

IR

Vibrations