Geometry & MOs

Info

ID:	387175
PubChem CID:	134984305
Reduced:	ON2Si2C24H38 (1)
Stoich.:	AB2C2D24E38 (1)
Weight, g/mol:	381.178752
ΔH_f, kcal/mol:	-51.93
Dipole, Da:	3.9
IP(EA), eV:	-7.74(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C[C@@H](N3N2[C@@H](C1(C)C)C(=C3[Si](C)(C)C)[Si](C)(C)C)C4=CC=C(C=C4)OC

DOS

IR

Vibrations