Geometry & MOs

Info

ID:	12198
PubChem CID:	132192
Reduced:	OC10H15 (2)
Stoich.:	AB10C15 (2)
Weight, g/mol:	302.22458
ΔH_f, kcal/mol:	-105.23
Dipole, Da:	2.22
IP(EA), eV:	-9.71(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(4R,5S,6R,9R,10R)-9-methyl-4-prop-1-en-2-yl-5-tetracyclo[7.2.1.01,6.08,10]dodecanyl]propanoate

Drug info:

PubChemData

Smile

CC(=C)[C@@H]1CCC23C[C@@H]4C([C@]4(C2)C)C[C@@H]3[C@H]1CCC(=O)OC

DOS

IR

Vibrations