Geometry & MOs

Info

ID:	64343
PubChem CID:	29199206
Reduced:	N2O4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	291.11384
ΔH_f, kcal/mol:	-90.48
Dipole, Da:	3.67
IP(EA), eV:	-9.04(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-5-chloro-3-methyl-N-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CC(=O)[C@@H]([C@@H]1C[N+](=O)[O-])CC(=O)NC2=CC=CC=C2

DOS

IR

Vibrations