Geometry & MOs

Info

ID:	225498
PubChem CID:	85852552
Reduced:	NPSC18H30 (1)
Stoich.:	ABCD18E30 (1)
Weight, g/mol:	575.2613
ΔH_f, kcal/mol:	-60.5
Dipole, Da:	1.16
IP(EA), eV:	-8.43(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,4,5,7-pentakis-phenyl-6-(2-phenylethenyl)-3H-azepine

Drug info:

PubChemData

Smile

CCCCCCSP(C1CCCCC1)NC2=CC=CC=C2

DOS

IR

Vibrations