Geometry & MOs

Info

ID:	387176
PubChem CID:	134984310
Reduced:	NO7C19H27 (1)
Stoich.:	AB7C19D27 (1)
Weight, g/mol:	395.194402
ΔH_f, kcal/mol:	-278.03
Dipole, Da:	6.07
IP(EA), eV:	-9.83(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O-tert-butyl 7-O,8-O-diethyl 5-methyl-1,4,6,8a-tetrahydro-2,3-benzoxazine-3,7,8-tricarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2CON(CC2=CC1)C(=O)OC(C)(C)C)C(=O)OCC

DOS

IR

Vibrations