Geometry & MOs

Info

ID:	383462
PubChem CID:	134975200
Reduced:	BrNO2C17H20 (1)
Stoich.:	ABC2D17E20 (1)
Weight, g/mol:	371.05209
ΔH_f, kcal/mol:	-41.89
Dipole, Da:	4.26
IP(EA), eV:	-8.95(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(bromomethyl)-4,6-diphenyl-5,6-dihydrooxazin-2-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1C(=C([C@@H]2CCCC[C@@H]2O1)C3=CC=CC=C3)CBr

DOS

IR

Vibrations