Geometry & MOs

Info

ID:	61983
PubChem CID:	26716559
Reduced:	NO2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	338.163043
ΔH_f, kcal/mol:	-119.25
Dipole, Da:	5.41
IP(EA), eV:	-8.7(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-(3-oxo-1,4-benzoxazin-4-yl)-N-[(1R)-1-phenylethyl]propanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H]2CCCN2C(=O)CCN3C(=O)COC4=CC=CC=C43

DOS

IR

Vibrations