Geometry & MOs

Info

ID:	372261
PubChem CID:	131294818
Reduced:	NO2F3H8C10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	229.035063
ΔH_f, kcal/mol:	-190.07
Dipole, Da:	8.81
IP(EA), eV:	-10.07(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-formyl-4-methoxy-3-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C(F)(F)F)C#N)CO

DOS

IR

Vibrations