Geometry & MOs

Info

ID:	64442
PubChem CID:	29200649
Reduced:	O2N3C19H29 (1)
Stoich.:	A2B3C19D29 (1)
Weight, g/mol:	464.20597
ΔH_f, kcal/mol:	-104.82
Dipole, Da:	2.06
IP(EA), eV:	-9.26(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC[C@H]1CCCCN1C(=O)C2=CC=C(C=C2)CNC(=O)NC(C)C

DOS

IR

Vibrations