Geometry & MOs

Info

ID:	354350
PubChem CID:	127286476
Reduced:	N3O4C21H31 (1)
Stoich.:	A3B4C21D31 (1)
Weight, g/mol:	345.205242
ΔH_f, kcal/mol:	-155.22
Dipole, Da:	1.89
IP(EA), eV:	-8.6(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCCN2C(=O)NC(C)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations