Geometry & MOs

Info

ID:	387245
PubChem CID:	134984559
Reduced:	NOC19H25 (1)
Stoich.:	ABC19D25 (1)
Weight, g/mol:	455.194402
ΔH_f, kcal/mol:	12.52
Dipole, Da:	0.83
IP(EA), eV:	-9.26(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (3R,6S)-3-(4-methoxycarbonylphenyl)-2-methyl-6-phenyloxazinane-4,4-dicarboxylate

Drug info:

PubChemData

Smile

CCCCN(CCC1=CC=CC=C1)OCC2=CC=CC=C2

DOS

IR

Vibrations