Geometry & MOs

Info

ID:	327083
PubChem CID:	126688970
Reduced:	NSO10C14H15 (1)
Stoich.:	ABC10D14E15 (1)
Weight, g/mol:	212.17763
ΔH_f, kcal/mol:	-371.66
Dipole, Da:	8.15
IP(EA), eV:	-9.94(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl 2-ethyl-3-methylbutanoate

Drug info:

PubChemData

Smile

CC1=C(OC(=O)O1)COC(=O)SCCN(C2=C(OC(=O)O2)C)C(=O)OC

DOS

IR

Vibrations