Geometry & MOs

Info

ID:	397742
PubChem CID:	135030657
Reduced:	OH20C22 (1)
Stoich.:	AB20C22 (1)
Weight, g/mol:	332.141245
ΔH_f, kcal/mol:	48.8
Dipole, Da:	2.6
IP(EA), eV:	-9.17(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (10S)-2-benzoyl-12-methyltetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-triene-10-carboxylate

Drug info:

PubChemData

Smile

C1CC1C(=O)C23[C@H]4C2[C@H]([C@H](C4)C5=CC=CC=C35)C6=CC=CC=C6

DOS

IR

Vibrations