Geometry & MOs

Info

ID:	391451
PubChem CID:	135005266
Reduced:	BKOF3H9C13 (1)
Stoich.:	ABCD3E9F13 (1)
Weight, g/mol:	349.11365
ΔH_f, kcal/mol:	-314.58
Dipole, Da:	7.78
IP(EA), eV:	-9.37(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,4aS)-1-(4-methoxyphenyl)-4-thiophen-2-yl-4,4a-dihydro-3H-cyclohepta[b]pyridin-2-one

Drug info:

PubChemData

Smile

[B-](C1=CC=C(C=C1)C(=O)C2=CC=CC=C2)(F)(F)F.[K+]

DOS

IR

Vibrations