Geometry & MOs

Info

ID:	443021
PubChem CID:	135257422
Reduced:	NOC5H6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	720.325297
ΔH_f, kcal/mol:	-29.62
Dipole, Da:	2.26
IP(EA), eV:	-8.52(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[9-[4-(2,4-diphenyl-1,4,5,6-tetrahydropyrimidin-6-yl)phenyl]carbazol-3-yl]-N,N-diphenylaniline

Drug info:

PubChemData

Smile

C1COC2=CC3=C(CC(N3O)N)C=C21

DOS

IR

Vibrations