Geometry & MOs

Info

ID:	156950
PubChem CID:	56394953
Reduced:	ON4C27H32 (1)
Stoich.:	AB4C27D32 (1)
Weight, g/mol:	458.268176
ΔH_f, kcal/mol:	19.59
Dipole, Da:	2.57
IP(EA), eV:	-8.75(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethoxyphenyl)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CCC(=O)NC2=CC=CC=C2N3CCN(CC3)CCC4=CC=NC=C4

DOS

IR

Vibrations