Geometry & MOs

Info

ID:	435870
PubChem CID:	135192637
Reduced:	FH19C20 (1)
Stoich.:	AB19C20 (1)
Weight, g/mol:	379.178358
ΔH_f, kcal/mol:	-0.85
Dipole, Da:	0.84
IP(EA), eV:	-7.97(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(E)-hex-1-enyl]-4-(4-methoxybenzoyl)-2-methyl-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1=CC2=C3C(=C1C)C=C/C(=C/C(=C(/C)\F)/C)/C3=CC=C2

DOS

IR

Vibrations