Geometry & MOs

Info

ID:	64440
PubChem CID:	29200645
Reduced:	N4O5C26H32 (1)
Stoich.:	A4B5C26D32 (1)
Weight, g/mol:	480.23727
ΔH_f, kcal/mol:	-147.52
Dipole, Da:	9.84
IP(EA), eV:	-8.64(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)C(=O)N2CCN(CC2)CCNC(=O)[C@@H]3CC(=O)N(C3)C4=CC=CC=C4

DOS

IR

Vibrations