Geometry & MOs

Info

ID:	138853
PubChem CID:	52434916
Reduced:	N3O3C27H29 (1)
Stoich.:	A3B3C27D29 (1)
Weight, g/mol:	477.181919
ΔH_f, kcal/mol:	-55.35
Dipole, Da:	2.92
IP(EA), eV:	-8.3(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-chlorophenyl)-2-methoxy-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)[C@H](C4=CC=CC=C4)OC

DOS

IR

Vibrations