Geometry & MOs

Info

ID:	254105
PubChem CID:	103122763
Reduced:	BrON3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	255.11384
ΔH_f, kcal/mol:	2.23
Dipole, Da:	3.77
IP(EA), eV:	-9.25(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(chloromethyl)cyclopentyl]methyl]-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(C(C1)CBr)CNC(=O)C2=C3C=CC=CN3N=C2

DOS

IR

Vibrations