Geometry & MOs

Info

ID:	402940
PubChem CID:	135057964
Reduced:	ON3H15C16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	348.9869
ΔH_f, kcal/mol:	49.64
Dipole, Da:	3.72
IP(EA), eV:	-8.75(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-[(R)-bromo(chloro)methyl]-4-methyl-2-phenyl-3,1-benzoxazine

Drug info:

PubChemData

Smile

CC(CC=O)C1=CC2=CC=CC=C2N1C3=NC=CC=N3

DOS

IR

Vibrations