Geometry & MOs

Info

ID:	218199
PubChem CID:	85089020
Reduced:	O5C26H46 (1)
Stoich.:	A5B26C46 (1)
Weight, g/mol:	438.313395
ΔH_f, kcal/mol:	-287.13
Dipole, Da:	3.53
IP(EA), eV:	-9.49(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-oxo-6-prop-1-enyl-1-propylcyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OCCC(C)CCC2C(=C)CCC3C2(CCCC3(C)C)C)O)O)O

DOS

IR

Vibrations