Geometry & MOs

Info

ID:	144551
PubChem CID:	53384626
Reduced:	BClOC2F3H5 (1)
Stoich.:	ABCD2E3F5 (1)
Weight, g/mol:	430.083268
ΔH_f, kcal/mol:	-340.26
Dipole, Da:	1.83
IP(EA), eV:	-11.12(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-chloro-2-(naphthalen-1-ylmethyl)-3-oxopyridazin-4-yl]-2-(4-nitrophenyl)acetonitrile

Drug info:

PubChemData

Smile

B(F)(F)F.C(CCl)O

DOS

IR

Vibrations