Geometry & MOs

Info

ID:	254057
PubChem CID:	103122434
Reduced:	ClON3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	321.04767
ΔH_f, kcal/mol:	-20.96
Dipole, Da:	5.99
IP(EA), eV:	-9.36(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-(2-bromoethyl)-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)N2C3CCC2CC(C3)Cl

DOS

IR

Vibrations