Geometry & MOs

Info

ID:	438705
PubChem CID:	135228456
Reduced:	NO2C25H33 (1)
Stoich.:	AB2C25D33 (1)
Weight, g/mol:	435.176976
ΔH_f, kcal/mol:	-58.75
Dipole, Da:	4.19
IP(EA), eV:	-8.43(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-N-(1,3-benzodioxol-5-ylmethyl)-4-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(CC(=O)C)C(=C)N(CCCOC1=CC=C(C=C1)C)C2=CC=CC=C2C

DOS

IR

Vibrations