Geometry & MOs

Info

ID:	391780
PubChem CID:	135009467
Reduced:	N4O5C24H32 (1)
Stoich.:	A4B5C24D32 (1)
Weight, g/mol:	345.03644
ΔH_f, kcal/mol:	-89.5
Dipole, Da:	7.6
IP(EA), eV:	-9.24(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-bromophenyl)methyl]-2,7-dimethyl-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CCCCCCCCCC/C(=C(/C1C2=C(C=CN1C(=O)OCC)C(=CC=C2)[N+](=O)[O-])\[N+]#N)/[O-]

DOS

IR

Vibrations