Geometry & MOs

Info

ID:	397246
PubChem CID:	135029951
Reduced:	NOCl2H7C15 (1)
Stoich.:	ABC2D7E15 (1)
Weight, g/mol:	331.132077
ΔH_f, kcal/mol:	26.94
Dipole, Da:	5.33
IP(EA), eV:	-9.0(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitro-1-N,1-N'-bis(3-phenylprop-2-ynyl)ethene-1,1-diamine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC4=CC(=CC(=C4N3C2=O)Cl)Cl

DOS

IR

Vibrations