Geometry & MOs

Info

ID:	314709
PubChem CID:	126622797
Reduced:	ClNC15H20 (1)
Stoich.:	ABC15D20 (1)
Weight, g/mol:	225.095378
ΔH_f, kcal/mol:	-12.17
Dipole, Da:	2.77
IP(EA), eV:	-9.04(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-fluorophenyl)-3-methylphenyl]acetonitrile

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CC3=C(CCNC3)C(=C2)Cl

DOS

IR

Vibrations