Geometry & MOs

Info

ID:	374538
PubChem CID:	131331240
Reduced:	ON4H10C11 (1)
Stoich.:	AB4C10D11 (1)
Weight, g/mol:	230.042232
ΔH_f, kcal/mol:	64.46
Dipole, Da:	2.76
IP(EA), eV:	-8.77(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-[3-chloro-5-(difluoromethyl)phenyl]propanenitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CN(N=N2)CCC#N)O

DOS

IR

Vibrations