Geometry & MOs

Info

ID:

446303

PubChem CID:

135273914

Reduced:

NH9C13 (3)

Stoich.:

AB9C13 (3)

Weight, g/mol:

639.267448

ΔHf, kcal/mol:

173.59

Dipole, Da:

2.42

IP(EA), eV:

 -8.17(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-15,15-dimethyl-4-azahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(23),2(14),3(11),5,7,9,12,16,18,20(24),21-undecaene

Drug info:

PubChemData

Smile

CC1(C2=CC=CC3=C2C(=CC=C3)C4=C1C=C5C6=CC=CC=C6N(C5=C4)C7=NC8=CC=CC=C8C(=N7)C9=CC=CC=C9)C

DOS

IR

Vibrations