Geometry & MOs

Info

ID:	30602
PubChem CID:	841560
Reduced:	NOSH15C17 (1)
Stoich.:	ABCD15E17 (1)
Weight, g/mol:	324.98105
ΔH_f, kcal/mol:	17.18
Dipole, Da:	3.98
IP(EA), eV:	-8.9(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-2-methyl-4-nitropyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)NC(=O)C2=CSC3=CC=CC=C32

DOS

IR

Vibrations