Geometry & MOs

Info

ID:	346172
PubChem CID:	127270660
Reduced:	ON5C20H29 (1)
Stoich.:	AB5C20D29 (1)
Weight, g/mol:	365.279075
ΔH_f, kcal/mol:	9.17
Dipole, Da:	5.32
IP(EA), eV:	-8.72(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CCN(CCNC(=O)N1CCC(CC1)C2=NC3=CC=CC=C3N2)C4CC4

DOS

IR

Vibrations