Geometry & MOs

Info

ID:	369387
PubChem CID:	127333009
Reduced:	NO2C11H17 (2)
Stoich.:	AB2C11D17 (2)
Weight, g/mol:	388.199822
ΔH_f, kcal/mol:	-215.44
Dipole, Da:	5.73
IP(EA), eV:	-9.51(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxole-5-carbonyl)-N-[(1-hydroxycycloheptyl)methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NCC1(CCCCCC1)O)N2C(=O)C3CC=CCC3C2=O

DOS

IR

Vibrations