Geometry & MOs

Info

ID:	199079
PubChem CID:	79195062
Reduced:	OSN4C9H10 (1)
Stoich.:	ABC4D9E10 (1)
Weight, g/mol:	186.054161
ΔH_f, kcal/mol:	21.19
Dipole, Da:	6.3
IP(EA), eV:	-9.3(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyano-1H-indazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)C)SC)C(=O)NC#N

DOS

IR

Vibrations