Geometry & MOs

Info

ID:	254092
PubChem CID:	103122647
Reduced:	ClON3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	293.12949
ΔH_f, kcal/mol:	-9.66
Dipole, Da:	4.22
IP(EA), eV:	-9.28(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-ethylbutyl)-1-methylindazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(CCCl)CNC(=O)C1=C2C=CC=CN2N=C1

DOS

IR

Vibrations