Geometry & MOs

Info

ID:	254095
PubChem CID:	103122673
Reduced:	BrON4C10H11 (1)
Stoich.:	ABC4D10E11 (1)
Weight, g/mol:	245.01637
ΔH_f, kcal/mol:	20.24
Dipole, Da:	2.67
IP(EA), eV:	-9.6(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromopropyl)-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations