Geometry & MOs

Info

ID:	163456
PubChem CID:	57973453
Reduced:	NO2C9H17 (1)
Stoich.:	AB2C9D17 (1)
Weight, g/mol:	538.153846
ΔH_f, kcal/mol:	-105.07
Dipole, Da:	2.97
IP(EA), eV:	-8.99(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3R,4R)-1-(2-anilino-4-chlorobenzoyl)-4-hydroxypyrrolidin-3-yl]piperazin-1-yl]-(4-chlorophenyl)methanone

Drug info:

PubChemData

Smile

CCCOC(=O)[C@H]1CCCN1C

DOS

IR

Vibrations