Geometry & MOs

Info

ID:	381895
PubChem CID:	134972757
Reduced:	NO3C13H15 (2)
Stoich.:	AB3C13D15 (2)
Weight, g/mol:	363.168188
ΔH_f, kcal/mol:	-224.18
Dipole, Da:	2.96
IP(EA), eV:	-9.66(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[[4-(4-methoxyphenyl)-6,6-dimethyl-4,5-dihydrooxazin-3-yl]methyl]propanedioate

Drug info:

PubChemData

Smile

COC(=O)[C@@H]([C@@H]1CCCCC1=O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations