Geometry & MOs

Info

ID:	397694
PubChem CID:	135030585
Reduced:	O5C19H30 (1)
Stoich.:	A5B19C30 (1)
Weight, g/mol:	266.22458
ΔH_f, kcal/mol:	-234.55
Dipole, Da:	4.29
IP(EA), eV:	-9.03(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(8aR)-2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]acetate

Drug info:

PubChemData

Smile

CC1=C[C@@H](C2[C@@]([C@]1(CC(=O)OC)O)(CCCC2(C)C)C)OC(=O)C

DOS

IR

Vibrations