Geometry & MOs

Info

ID:	374495
PubChem CID:	131330511
Reduced:	F2N2H10C11 (1)
Stoich.:	A2B2C10D11 (1)
Weight, g/mol:	196.081205
ΔH_f, kcal/mol:	-34.59
Dipole, Da:	6.32
IP(EA), eV:	-9.82(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-aminoethyl)-2-(difluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

C1CNC1C2=CC(=C(C=C2)C(F)F)C#N

DOS

IR

Vibrations