Geometry & MOs

Info

ID:	317723
PubChem CID:	126645414
Reduced:	NO2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	307.141973
ΔH_f, kcal/mol:	-86.27
Dipole, Da:	9.13
IP(EA), eV:	-8.9(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-O-tert-butyl 7-O-methyl 4-methyl-2,3-dihydro-1,4-benzoxazine-2,7-dicarboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)N2CCCC3=C2C=C(C=C3)C(=O)NO

DOS

IR

Vibrations