Geometry & MOs

Info

ID:	393841
PubChem CID:	135021809
Reduced:	O2C19H32 (1)
Stoich.:	A2B19C32 (1)
Weight, g/mol:	274.229666
ΔH_f, kcal/mol:	-138.92
Dipole, Da:	5.86
IP(EA), eV:	-9.61(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,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(=O)[C@H]1CC(=O)C)C)C(C)C

DOS

IR

Vibrations