Geometry & MOs

Info

ID:	165185
PubChem CID:	74513389
Reduced:	SN2O7C24H30 (1)
Stoich.:	AB2C7D24E30 (1)
Weight, g/mol:	375.158292
ΔH_f, kcal/mol:	-220.67
Dipole, Da:	5.07
IP(EA), eV:	-8.17(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C=CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC)OC

DOS

IR

Vibrations