Geometry & MOs

Info

ID:	224578
PubChem CID:	85345025
Reduced:	OC18H20 (1)
Stoich.:	AB18C20 (1)
Weight, g/mol:	254.105528
ΔH_f, kcal/mol:	5.05
Dipole, Da:	1.9
IP(EA), eV:	-9.12(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4a-methyl-3-oxo-5,6-dihydro-2H-benzo[f][1,4]benzoxazin-2-yl)acetonitrile

Drug info:

PubChemData

Smile

CC(C=CC1=CC=CC=C1)OC(C)C2=CC=CC=C2

DOS

IR

Vibrations