Geometry & MOs

Info

ID:	398702
PubChem CID:	135034926
Reduced:	FO2H21C23 (1)
Stoich.:	AB2C21D23 (1)
Weight, g/mol:	388.167459
ΔH_f, kcal/mol:	-6.5
Dipole, Da:	5.8
IP(EA), eV:	-9.24(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4aS,7Z,11bS)-4a-methyl-7-[(2-methylphenyl)methylidene]-2-oxo-1,11b-dihydrobenzo[d][1]benzoxepine-10-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C/2\CO[C@]3(C=CC(=O)C[C@H]3C4=C2C=CC(=C4)F)C

DOS

IR

Vibrations