Geometry & MOs

Info

ID:	184409
PubChem CID:	77157412
Reduced:	NOC5H7 (2)
Stoich.:	ABC5D7 (2)
Weight, g/mol:	394.283158
ΔH_f, kcal/mol:	-85.17
Dipole, Da:	2.52
IP(EA), eV:	-8.57(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclohexylmethyl)-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-3,4,4a,5,6,7,8,8a-octahydrobenzo[d]oxazin-6-yl)pentanamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N)CC(CC(=O)O)N

DOS

IR

Vibrations