Geometry & MOs

Info

ID:	127690
PubChem CID:	51011506
Reduced:	ClH11C16 (1)
Stoich.:	AB11C16 (1)
Weight, g/mol:	320.214016
ΔH_f, kcal/mol:	62.73
Dipole, Da:	2.13
IP(EA), eV:	-9.19(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3S,4R)-3-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

Drug info:

PubChemData

Smile

C1=CC=C2[C@H]3C=C[C@H](C2=C1)C4=C3C=C(C=C4)Cl

DOS

IR

Vibrations