Geometry & MOs

Info

ID:	385991
PubChem CID:	134980482
Reduced:	H12C13 (2)
Stoich.:	A12B13 (2)
Weight, g/mol:	322.172151
ΔH_f, kcal/mol:	87.92
Dipole, Da:	0.77
IP(EA), eV:	-9.08(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4S)-2-methyl-3,4-diphenyltricyclo[6.4.0.02,4]dodeca-1(12),6,8,10-tetraene

Drug info:

PubChemData

Smile

CC1[C@@]2([C@]1(CC(=CC3=CC=CC=C3)C2)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations