Geometry & MOs

Info

ID:	446795
PubChem CID:	135277765
Reduced:	NO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	629.217721
ΔH_f, kcal/mol:	-117.7
Dipole, Da:	3.28
IP(EA), eV:	-9.63(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-naphthalen-2-yl-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2(CCOC2)CC(=O)OC

DOS

IR

Vibrations