Geometry & MOs

Info

ID:	381896
PubChem CID:	134972758
Reduced:	NO6C19H25 (1)
Stoich.:	AB6C19D25 (1)
Weight, g/mol:	271.141973
ΔH_f, kcal/mol:	-211.23
Dipole, Da:	3.73
IP(EA), eV:	-8.83(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC(C(=NO1)CC(C(=O)OC)C(=O)OC)C2=CC=C(C=C2)OC)C

DOS

IR

Vibrations