Geometry & MOs

Info

ID:	178241
PubChem CID:	76302570
Reduced:	SN2O2H20C23 (1)
Stoich.:	AB2C2D20E23 (1)
Weight, g/mol:	465.27399
ΔH_f, kcal/mol:	35.01
Dipole, Da:	4.92
IP(EA), eV:	-9.05(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-3-(piperidin-1-ylmethyl)benzenecarboximidamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CN(CC2=CC=CO2)C(=O)C=CC3=CC=CC4=C3N=CC=C4

DOS

IR

Vibrations