Geometry & MOs

Info

ID:	198059
PubChem CID:	79040299
Reduced:	NOCl3H8C12 (1)
Stoich.:	ABC3D8E12 (1)
Weight, g/mol:	229.101526
ΔH_f, kcal/mol:	-2.54
Dipole, Da:	2.53
IP(EA), eV:	-9.68(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-2-[(1-methylpyrrol-2-yl)methylamino]benzonitrile

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1)Cl)COC2=C(C=CC=C2Cl)Cl

DOS

IR

Vibrations