Geometry & MOs

Info

ID:	372605
PubChem CID:	131300701
Reduced:	N4C9H12 (1)
Stoich.:	A4B9C12 (1)
Weight, g/mol:	230.066697
ΔH_f, kcal/mol:	56.32
Dipole, Da:	5.52
IP(EA), eV:	-9.83(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3,3,3-trifluoro-2-(3-methoxyphenyl)propanenitrile

Drug info:

PubChemData

Smile

CC1=CN=CC(=N1)C(CCC#N)N

DOS

IR

Vibrations