Geometry & MOs

Info

ID:	339232
PubChem CID:	127260611
Reduced:	NO2C17H31 (1)
Stoich.:	AB2C17D31 (1)
Weight, g/mol:	240.172545
ΔH_f, kcal/mol:	-91.89
Dipole, Da:	4.38
IP(EA), eV:	-8.54(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethenyl 2-(1-hydroxycyclohexyl)-3-methylpentanoate

Drug info:

PubChemData

Smile

CC(C)N(CCOCC#CC1(CCCCC1)O)C(C)C

DOS

IR

Vibrations