Geometry & MOs

Info

ID:	160881
PubChem CID:	57390111
Reduced:	OSN2H14C15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	455.278407
ΔH_f, kcal/mol:	45.41
Dipole, Da:	2.75
IP(EA), eV:	-8.8(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-ethoxyethoxymethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide

Drug info:

PubChemData

Smile

C1CC2C(C1)SC(=C2C#N)N/C=C\3/C=CC=CC3=O

DOS

IR

Vibrations