Geometry & MOs

Info

ID:	360627
PubChem CID:	127301272
Reduced:	ON3C10H17 (2)
Stoich.:	AB3C10D17 (2)
Weight, g/mol:	393.310376
ΔH_f, kcal/mol:	-73.61
Dipole, Da:	8.62
IP(EA), eV:	-8.5(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-ethylpiperidin-4-yl)-2-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)NC(=O)CN2CCC(CC2)CC(=O)N3CCN(CC3)C

DOS

IR

Vibrations