Geometry & MOs

Info

ID:	187655
PubChem CID:	77606217
Reduced:	N2O7C25H32 (1)
Stoich.:	A2B7C25D32 (1)
Weight, g/mol:	432.181585
ΔH_f, kcal/mol:	-267.22
Dipole, Da:	3.66
IP(EA), eV:	-8.49(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2-chlorophenyl)cyclopentyl]-N-(4-methyl-1-oxo-3,4,4a,5,6,7,8,8a-octahydrobenzo[d]oxazin-6-yl)-2-oxopropanamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CCCNC(CC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)OC

DOS

IR

Vibrations