Geometry & MOs

Info

ID:	254119
PubChem CID:	103122834
Reduced:	ClON4C11H13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	259.03202
ΔH_f, kcal/mol:	19.04
Dipole, Da:	3.22
IP(EA), eV:	-9.53(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-bromopropan-2-yl)-N,1-dimethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(CCl)N(C)C(=O)C1=C2C=NC=CN2N=C1

DOS

IR

Vibrations