Geometry & MOs

Info

ID:	360628
PubChem CID:	127301273
Reduced:	O2N5C21H39 (1)
Stoich.:	A2B5C21D39 (1)
Weight, g/mol:	386.268176
ΔH_f, kcal/mol:	-121.02
Dipole, Da:	3.79
IP(EA), eV:	-8.67(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dimethylphenyl)-2-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCN1CCC(CC1)NC(=O)CN2CCC(CC2)CC(=O)N3CCN(CC3)C

DOS

IR

Vibrations