Geometry & MOs

Info

ID:	269944
PubChem CID:	103620646
Reduced:	ON3C9H17 (1)
Stoich.:	AB3C9D17 (1)
Weight, g/mol:	279.137162
ΔH_f, kcal/mol:	-1.75
Dipole, Da:	2.81
IP(EA), eV:	-9.2(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2-cyanophenyl)methylamino]methyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CCCCCNCC1=NOC(=N1)C

DOS

IR

Vibrations