Geometry & MOs

Info

ID:	269013
PubChem CID:	103605056
Reduced:	ClOF2N2H11C15 (1)
Stoich.:	ABC2D2E11F15 (1)
Weight, g/mol:	282.136828
ΔH_f, kcal/mol:	-74.95
Dipole, Da:	5.79
IP(EA), eV:	-8.88(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4,5-dimethoxy-2-methylanilino)methyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC2=CC(=C(C=C2)OC(F)F)Cl)C#N

DOS

IR

Vibrations