Geometry & MOs

Info

ID:	398704
PubChem CID:	135034930
Reduced:	OH12C14 (2)
Stoich.:	AB12C14 (2)
Weight, g/mol:	386.22458
ΔH_f, kcal/mol:	74.6
Dipole, Da:	4.79
IP(EA), eV:	-9.04(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,7Z,11bS)-10-tert-butyl-4a-methyl-7-[(2-methylphenyl)methylidene]-1,11b-dihydrobenzo[d][1]benzoxepin-2-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C/2\CO[C@]3(C=CC(=O)C[C@H]3C4=CC=CC=C24)C5=CC=CC=C5

DOS

IR

Vibrations