Geometry & MOs

Info

ID:	254090
PubChem CID:	103122630
Reduced:	ClON3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	229.09819
ΔH_f, kcal/mol:	-19.68
Dipole, Da:	4.24
IP(EA), eV:	-8.87(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloropentan-2-yl)-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)(CCl)NC(=O)C1=NN(C2=CC=CC=C21)C

DOS

IR

Vibrations