Geometry & MOs

Info

ID:	393843
PubChem CID:	135021811
Reduced:	OC21H36 (1)
Stoich.:	AB21C36 (1)
Weight, g/mol:	274.229666
ΔH_f, kcal/mol:	-66.47
Dipole, Da:	2.28
IP(EA), eV:	-9.68(1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,7S,8R,11R,12S)-1,8-dimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-3-en-5-one

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@H]2[C@@H](CC[C@]2(CC([C@H]1CC=C)(C=C)O)C)C(C)C

DOS

IR

Vibrations