Geometry & MOs

Info

ID:	254096
PubChem CID:	103122676
Reduced:	BrON3C8H12 (1)
Stoich.:	ABC3D8E12 (1)
Weight, g/mol:	285.04767
ΔH_f, kcal/mol:	-31.95
Dipole, Da:	5.42
IP(EA), eV:	-8.89(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromocyclohexyl)-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=NN(C=C1)C)Br

DOS

IR

Vibrations