Geometry & MOs

Info

ID:	233709
PubChem CID:	92093006
Reduced:	ON3H17C22 (1)
Stoich.:	AB3C17D22 (1)
Weight, g/mol:	333.147727
ΔH_f, kcal/mol:	68.8
Dipole, Da:	6.01
IP(EA), eV:	-9.27(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenoxy)-N-[(2-pyridin-4-ylpyridin-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C(=O)NCC3=C(N=CC=C3)C4=CC=NC=C4

DOS

IR

Vibrations