Geometry & MOs

Info

ID:	323234
PubChem CID:	126673744
Reduced:	NO3C5H11 (1)
Stoich.:	AB3C5D11 (1)
Weight, g/mol:	271.97965
ΔH_f, kcal/mol:	-152.87
Dipole, Da:	5.94
IP(EA), eV:	-10.8(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-7-bromo-2-methyl-5-nitro-3,4-dihydro-2H-1,4-benzoxazine

Drug info:

PubChemData

Smile

CCCC(=O)N.C(=O)O

DOS

IR

Vibrations