Geometry & MOs

Info

ID:	231585
PubChem CID:	87574217
Reduced:	PSH16C19 (2)
Stoich.:	ABC16D19 (2)
Weight, g/mol:	380.067618
ΔH_f, kcal/mol:	65.22
Dipole, Da:	6.08
IP(EA), eV:	-8.22(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chloropyridazin-3-yl)-2-[4-methoxy-3-(3-nitrophenyl)phenyl]acetonitrile

Drug info:

PubChemData

Smile

CC(P(=S)(C1=CC=CC=C1)C2=CC=CC=C2C3=CC=CC=C3)P(=S)(C4=CC=CC=C4)C5=CC=CC=C5C6=CC=CC=C6

DOS

IR

Vibrations