Geometry & MOs

Info

ID:	156947
PubChem CID:	56394943
Reduced:	ClO2N3H20C21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	460.247441
ΔH_f, kcal/mol:	-12.27
Dipole, Da:	5.23
IP(EA), eV:	-8.08(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-phenoxyethoxy)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)N2CCC(C2)NC(=O)C3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations