Geometry & MOs

Info

ID:	397744
PubChem CID:	135030659
Reduced:	OH16C19 (1)
Stoich.:	AB16C19 (1)
Weight, g/mol:	350.167065
ΔH_f, kcal/mol:	40.01
Dipole, Da:	2.94
IP(EA), eV:	-9.28(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,9S,10S)-9-methyl-10-phenyl-2-tetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-trienyl]-phenylmethanone

Drug info:

PubChemData

Smile

C1[C@H]2[C@@H](C3[C@@H]1C3(C4=CC=CC=C24)C=O)C5=CC=CC=C5

DOS

IR

Vibrations