Geometry & MOs

Info

ID:	363636
PubChem CID:	127311737
Reduced:	OCl2N5C16H23 (1)
Stoich.:	AB2C5D16E23 (1)
Weight, g/mol:	351.263425
ΔH_f, kcal/mol:	1.5
Dipole, Da:	3.13
IP(EA), eV:	-8.88(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopropyl(methyl)amino]ethyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN(CCNC(=O)N1CCN(CC1)C2=C(C=C(C=N2)Cl)Cl)C3CC3

DOS

IR

Vibrations