Geometry & MOs

Info

ID:	159824
PubChem CID:	57288791
Reduced:	NOSC9H11 (1)
Stoich.:	ABCD9E11 (1)
Weight, g/mol:	321.15896
ΔH_f, kcal/mol:	-13.41
Dipole, Da:	2.04
IP(EA), eV:	-8.63(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(dimethylamino)phenyl]-5-methyl-4-(phenylhydrazinylidene)pyrazol-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NCC(=O)CS

DOS

IR

Vibrations