Geometry & MOs

Info

ID:	236014
PubChem CID:	92711356
Reduced:	N2O5C21H24 (1)
Stoich.:	A2B5C21D24 (1)
Weight, g/mol:	320.129156
ΔH_f, kcal/mol:	-154.13
Dipole, Da:	0.76
IP(EA), eV:	-8.63(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(azepane-1-carbonyl)-1-(4-chlorophenyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CNC(=O)[C@H]2CCN(C2=O)C3=CC=CC=C3

DOS

IR

Vibrations