Geometry & MOs

Info

ID:	263541
PubChem CID:	103376590
Reduced:	NO4C14H17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	227.075785
ΔH_f, kcal/mol:	-111.84
Dipole, Da:	5.75
IP(EA), eV:	-9.08(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-difluorophenyl)-2-(3-hydroxypropoxy)acetonitrile

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)C(C#N)OCCCO)OC1

DOS

IR

Vibrations