Geometry & MOs

Info

ID:	254089
PubChem CID:	103122609
Reduced:	ClON4C11H13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	293.12949
ΔH_f, kcal/mol:	12.16
Dipole, Da:	4.71
IP(EA), eV:	-9.79(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(chloromethyl)pentan-3-yl]-1-methylindazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=C2C=NC=CN2N=C1)CCl

DOS

IR

Vibrations