Geometry & MOs

Info

ID:	441975
PubChem CID:	135247311
Reduced:	N3H23C31 (1)
Stoich.:	A3B23C31 (1)
Weight, g/mol:	544.262697
ΔH_f, kcal/mol:	148.45
Dipole, Da:	1.75
IP(EA), eV:	-8.87(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[N-[[10-[(Z)-3-amino-3-phenylprop-2-enyl]phenanthren-9-yl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=C(C4=CC=CC=C4C=C3)CN)C5=CC=CC6=CC=CC=C65

DOS

IR

Vibrations