Geometry & MOs

Info

ID:	350907
PubChem CID:	127279195
Reduced:	SN3O3C21H21 (1)
Stoich.:	AB3C3D21E21 (1)
Weight, g/mol:	373.200156
ΔH_f, kcal/mol:	-49.7
Dipole, Da:	3.33
IP(EA), eV:	-8.5(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-N-(cyclohexylcarbamoyl)acetamide

Drug info:

PubChemData

Smile

C1CC(N(C1)CC2=NC3=C(C4=C(S3)CCC4)C(=O)N2)C5=CC6=C(C=C5)OCO6

DOS

IR

Vibrations