Geometry & MOs

Info

ID:	318312
PubChem CID:	126650441
Reduced:	NO4C15H21 (1)
Stoich.:	AB4C15D21 (1)
Weight, g/mol:	361.19026
ΔH_f, kcal/mol:	-169.27
Dipole, Da:	6.39
IP(EA), eV:	-9.16(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-phenylethyl)-3-[(2,3,6-triaminopyridin-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](C(CCN1C(=O)O)C2=CC(=CC=C2)OC)CO

DOS

IR

Vibrations