Geometry & MOs

Info

ID:	381897
PubChem CID:	134972759
Reduced:	NO5C13H21 (1)
Stoich.:	AB5C13D21 (1)
Weight, g/mol:	367.118651
ΔH_f, kcal/mol:	-203.79
Dipole, Da:	2.03
IP(EA), eV:	-9.38(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC(ON=C1CC(C(=O)OC)C(=O)OC)(C)C

DOS

IR

Vibrations