Geometry & MOs

Info

ID:	146334
PubChem CID:	53671786
Reduced:	O3C16H22 (1)
Stoich.:	A3B16C22 (1)
Weight, g/mol:	280.203845
ΔH_f, kcal/mol:	-124.13
Dipole, Da:	2.43
IP(EA), eV:	-9.79(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1aS,7bR)-1a,3a,7,7,7a-pentamethyl-2,3,4,5,6,7b-hexahydronaphtho[1,2-b]oxiren-2-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)CC=CCCC1(C2C[C@@]13CC[C@@H]2C3)C(=O)O

DOS

IR

Vibrations