Geometry & MOs

Info

ID:	156697
PubChem CID:	56371772
Reduced:	O3N4C22H34 (1)
Stoich.:	A3B4C22D34 (1)
Weight, g/mol:	429.262757
ΔH_f, kcal/mol:	-123.99
Dipole, Da:	3.49
IP(EA), eV:	-8.62(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,3-benzodioxol-5-ylmethyl-(2,3-dimethylcyclohexyl)amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

Drug info:

PubChemData

Smile

C1CN(CCC1CCN2CCOCC2)CC(=O)N(CCC(=O)N)C3=CC=CC=C3

DOS

IR

Vibrations