Geometry & MOs

Info

ID:	317229
PubChem CID:	126634553
Reduced:	FNO2C21H30 (1)
Stoich.:	ABC2D21E30 (1)
Weight, g/mol:	373.111422
ΔH_f, kcal/mol:	-145.78
Dipole, Da:	2.03
IP(EA), eV:	-7.95(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-[4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzoxazin-2-ylidene]methyl]benzaldehyde

Drug info:

PubChemData

Smile

CCCCOC1=CC2=C(C(=C1)F)NC([C@H]3[C@@H]2OCC3)C4CCCCC4

DOS

IR

Vibrations