Geometry & MOs

Info

ID:	64762
PubChem CID:	29203960
Reduced:	SN3O3C21H33 (1)
Stoich.:	AB3C3D21E33 (1)
Weight, g/mol:	379.189592
ΔH_f, kcal/mol:	-138.01
Dipole, Da:	4.92
IP(EA), eV:	-8.66(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCCCC3

DOS

IR

Vibrations