Geometry & MOs

Info

ID:	362880
PubChem CID:	127309709
Reduced:	ClO2N4C20H27 (1)
Stoich.:	AB2C4D20E27 (1)
Weight, g/mol:	363.134969
ΔH_f, kcal/mol:	-75.43
Dipole, Da:	5.09
IP(EA), eV:	-8.89(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2CCCN(C2)C(=O)NC3CCN(C3=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations