Geometry & MOs

Info

ID:	398703
PubChem CID:	135034927
Reduced:	O4H24C25 (1)
Stoich.:	A4B24C25 (1)
Weight, g/mol:	392.17763
ΔH_f, kcal/mol:	-42.77
Dipole, Da:	7.26
IP(EA), eV:	-9.24(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,7Z,11bS)-7-[(2-methylphenyl)methylidene]-4a-phenyl-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=C2C=CC(=C4)C(=O)OC)C

DOS

IR

Vibrations