Geometry & MOs

Info

ID:	291567
PubChem CID:	113444699
Reduced:	ON3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	243.098332
ΔH_f, kcal/mol:	3.0
Dipole, Da:	3.35
IP(EA), eV:	-8.69(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[methyl(3,3,3-trifluoropropyl)amino]benzonitrile

Drug info:

PubChemData

Smile

CN(CC1CCCO1)C2=CC=CC(=C2N)C#N

DOS

IR

Vibrations