Geometry & MOs

Info

ID:	9058
PubChem CID:	85688
Reduced:	O2C23H32 (1)
Stoich.:	A2B23C32 (1)
Weight, g/mol:	340.24023
ΔH_f, kcal/mol:	-107.63
Dipole, Da:	2.27
IP(EA), eV:	-8.78(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl)propan-2-yl 2-phenylacetate

Drug info:

PubChemData

Smile

CC1CCC(CC2=C1CCC2C)C(C)(C)OC(=O)CC3=CC=CC=C3

DOS

IR

Vibrations