Geometry & MOs

Info

ID:	380934
PubChem CID:	134971534
Reduced:	OC4H6 (3)
Stoich.:	AB4C6 (3)
Weight, g/mol:	305.141579
ΔH_f, kcal/mol:	-137.47
Dipole, Da:	2.17
IP(EA), eV:	-9.73(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR)-2-benzyl-4a-methyl-5,6-dihydro-2H-benzo[f][1,4]benzoxazin-3-one

Drug info:

PubChemData

Smile

CC(C)[C@H]([C@@H]([C@H](C1=CC=CC=C1)O)O)O

DOS

IR

Vibrations