Geometry & MOs

Info

ID:	272003
PubChem CID:	103715439
Reduced:	ClFN2O2C17H24 (1)
Stoich.:	ABC2D2E17F24 (1)
Weight, g/mol:	261.136493
ΔH_f, kcal/mol:	-170.28
Dipole, Da:	4.18
IP(EA), eV:	-8.56(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-hydroxy-1-(2-methoxyphenyl)ethyl]oxane-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCC(CC1)NC2=CC(=C(C=C2)Cl)F

DOS

IR

Vibrations