Geometry & MOs

Info

ID:	64768
PubChem CID:	29203972
Reduced:	SN3O4C19H31 (1)
Stoich.:	AB3C4D19E31 (1)
Weight, g/mol:	379.189592
ΔH_f, kcal/mol:	-168.97
Dipole, Da:	3.27
IP(EA), eV:	-8.94(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N(CC)CC)N2CCOCC2

DOS

IR

Vibrations