Geometry & MOs

Info

ID:	372134
PubChem CID:	131293568
Reduced:	N3O3C7H11 (1)
Stoich.:	A3B3C7D11 (1)
Weight, g/mol:	185.058912
ΔH_f, kcal/mol:	-110.29
Dipole, Da:	3.3
IP(EA), eV:	-8.63(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methylindazole-7-carbonyl cyanide

Drug info:

PubChemData

Smile

CNC1=C(NC(=O)N1C)C(=O)OC

DOS

IR

Vibrations