Geometry & MOs

Info

ID:	131907
PubChem CID:	51277647
Reduced:	SO2N4C15H16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	-28.94
Dipole, Da:	3.11
IP(EA), eV:	-8.56(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-yl)-N-(2-cyclohexylpyrazol-3-yl)propanamide

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N(C1=O)CC(=O)NC3=NC=C(S3)C

DOS

IR

Vibrations