Geometry & MOs

Info

ID:	391041
PubChem CID:	135002394
Reduced:	OC19H20 (1)
Stoich.:	AB19C20 (1)
Weight, g/mol:	369.172879
ΔH_f, kcal/mol:	6.38
Dipole, Da:	2.78
IP(EA), eV:	-9.39(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,4aS)-1-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]-4,4a-dihydro-3H-cyclohepta[b]pyridin-2-one

Drug info:

PubChemData

Smile

C[C@@H](/C=C/CC1=CC=CC=C1)C(=O)CC2=CC=CC=C2

DOS

IR

Vibrations