Geometry & MOs

Info

ID:	254126
PubChem CID:	103122870
Reduced:	BrON3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	229.09819
ΔH_f, kcal/mol:	-3.54
Dipole, Da:	3.28
IP(EA), eV:	-8.91(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CNC(=O)C1=NN(C2=CC=CC=C21)C)Br

DOS

IR

Vibrations