Geometry & MOs

Info

ID:	64464
PubChem CID:	29200907
Reduced:	O2N3C14H19 (1)
Stoich.:	A2B3C14D19 (1)
Weight, g/mol:	464.242356
ΔH_f, kcal/mol:	-86.01
Dipole, Da:	5.5
IP(EA), eV:	-9.14(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C2=CC(=CC=C2)NC(=O)N

DOS

IR

Vibrations