Geometry & MOs

Info

ID:	372928
PubChem CID:	131307178
Reduced:	ON2F3H9C10 (1)
Stoich.:	AB2C3D9E10 (1)
Weight, g/mol:	230.066697
ΔH_f, kcal/mol:	-152.89
Dipole, Da:	6.77
IP(EA), eV:	-9.26(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-amino-4-methoxy-5-(trifluoromethyl)phenyl]acetonitrile

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1CC#N)C(F)(F)F)N

DOS

IR

Vibrations