Geometry & MOs

Info

ID:	318217
PubChem CID:	126649659
Reduced:	N8H18C23 (1)
Stoich.:	A8B18C23 (1)
Weight, g/mol:	332.163711
ΔH_f, kcal/mol:	212.83
Dipole, Da:	5.07
IP(EA), eV:	-9.06(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3-[(2,6-diaminopyridin-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C2=CC=C(C=C2)CN3C=C(C=N3)CC4=CC(=NC5=NNN=C45)N)C#N

DOS

IR

Vibrations