Geometry & MOs

Info

ID:	216411
PubChem CID:	85086195
Reduced:	FNO2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	265.167794
ΔH_f, kcal/mol:	-116.83
Dipole, Da:	1.6
IP(EA), eV:	-9.33(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-(2-cyanoethyl)-2-(methoxymethylidene)cyclohexyl]acetate

Drug info:

PubChemData

Smile

CC1(OC2CN(CC(C2O1)F)CC3=CC=CC=C3)C

DOS

IR

Vibrations