Geometry & MOs

Info

ID:	157761
PubChem CID:	56437030
Reduced:	O3N4C23H28 (1)
Stoich.:	A3B4C23D28 (1)
Weight, g/mol:	461.24269
ΔH_f, kcal/mol:	-42.92
Dipole, Da:	3.76
IP(EA), eV:	-8.42(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-ethoxy-4-[[(1-pyrimidin-2-ylpiperidin-4-yl)amino]methyl]phenoxy]-N-phenylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)NCCCC2=NC(=NO2)C(C)C)OCC3=CC=CC=C3

DOS

IR

Vibrations