Geometry & MOs

Info

ID:	199367
PubChem CID:	79234568
Reduced:	ON2C18H18 (1)
Stoich.:	AB2C18D18 (1)
Weight, g/mol:	255.137162
ΔH_f, kcal/mol:	30.4
Dipole, Da:	3.19
IP(EA), eV:	-8.83(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-aminoethyl)-N-(2-methylpyridin-4-yl)benzamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)OCC2=CC=NC3=CC=CC=C23)N

DOS

IR

Vibrations