Geometry & MOs

Info

ID:	254127
PubChem CID:	103122885
Reduced:	ClON3C10H16 (1)
Stoich.:	ABC3D10E16 (1)
Weight, g/mol:	273.04767
ΔH_f, kcal/mol:	-34.55
Dipole, Da:	4.29
IP(EA), eV:	-9.7(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(CNC(=O)C1=NN(C=C1)C)Cl

DOS

IR

Vibrations