Geometry & MOs

Info

ID:	377904
PubChem CID:	134223970
Reduced:	NOC17H33 (1)
Stoich.:	ABC17D33 (1)
Weight, g/mol:	226.19328
ΔH_f, kcal/mol:	-116.0
Dipole, Da:	3.56
IP(EA), eV:	-9.51(1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCC(C)NC(=O)[C@]1(CC(CCC1C(C)C)(C)C)C

DOS

IR

Vibrations