Geometry & MOs

Info

ID:	64759
PubChem CID:	29203957
Reduced:	NOC5H7 (3)
Stoich.:	ABC5D7 (3)
Weight, g/mol:	305.12949
ΔH_f, kcal/mol:	-50.4
Dipole, Da:	9.56
IP(EA), eV:	-8.87(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-butyl-5-chloro-3-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC2

DOS

IR

Vibrations