Geometry & MOs

Info

ID:	21723
PubChem CID:	589645
Reduced:	O2C21H32 (1)
Stoich.:	A2B21C32 (1)
Weight, g/mol:	316.24023
ΔH_f, kcal/mol:	-123.46
Dipole, Da:	2.18
IP(EA), eV:	-9.1(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1,3-dimethyl-2-[2-(3-propan-2-ylphenyl)ethyl]cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CC1CCCC(C1CCC2=CC(=CC=C2)C(C)C)(C)C(=O)OC

DOS

IR

Vibrations