Geometry & MOs

Info

ID:	217084
PubChem CID:	85087222
Reduced:	H9C13 (2)
Stoich.:	A9B13 (2)
Weight, g/mol:	330.219495
ΔH_f, kcal/mol:	232.1
Dipole, Da:	0.19
IP(EA), eV:	-8.53(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 3-hydroxy-2-methylidenebutanoate

Drug info:

PubChemData

Smile

C1=CC=CC(=CC=C1)C#CC2=CC=C(C=C2)C#CC3=CC=CC=CC=C3

DOS

IR

Vibrations