Geometry & MOs

Info

ID:	260745
PubChem CID:	103202537
Reduced:	FN3H12C13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	282.148061
ΔH_f, kcal/mol:	33.1
Dipole, Da:	5.52
IP(EA), eV:	-8.39(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(5-cyano-1-methylpyrrol-3-yl)methylamino]methyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CN1C=C(C=C1C#N)CNC2=CC=C(C=C2)F

DOS

IR

Vibrations