Geometry & MOs

Info

ID:	397740
PubChem CID:	135030655
Reduced:	O2H18C23 (1)
Stoich.:	A2B18C23 (1)
Weight, g/mol:	350.167065
ΔH_f, kcal/mol:	28.63
Dipole, Da:	2.7
IP(EA), eV:	-9.26(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,9S,10S)-10-benzyl-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)C6=CC=CO6

DOS

IR

Vibrations