Geometry & MOs

Info

ID:	223387
PubChem CID:	85334951
Reduced:	NO4C17H19 (1)
Stoich.:	AB4C17D19 (1)
Weight, g/mol:	303.163457
ΔH_f, kcal/mol:	-105.78
Dipole, Da:	5.31
IP(EA), eV:	-8.71(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2-dimethyl-3H-1,3-benzoxazin-4-ylidene)-1-(4-fluorocyclohexyl)ethanone

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C=CC=CC2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations