Geometry & MOs

Info

ID:	383463
PubChem CID:	134975202
Reduced:	BrNO2H18C19 (1)
Stoich.:	ABC2D18E19 (1)
Weight, g/mol:	303.147058
ΔH_f, kcal/mol:	0.17
Dipole, Da:	4.02
IP(EA), eV:	-8.93(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-acetyl-6,6-dimethyl-4-phenyl-5H-oxazin-3-yl)acetate

Drug info:

PubChemData

Smile

CC(=O)N1C(=C(CC(O1)C2=CC=CC=C2)C3=CC=CC=C3)CBr

DOS

IR

Vibrations