Geometry & MOs

Info

ID:	346165
PubChem CID:	127270653
Reduced:	ClON5C17H26 (1)
Stoich.:	ABC5D17E26 (1)
Weight, g/mol:	385.143616
ΔH_f, kcal/mol:	-3.6
Dipole, Da:	4.08
IP(EA), eV:	-8.71(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-(3,5-dichloropyridin-2-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCN(CCNC(=O)N1CCN(CC1)C2=NC=C(C=C2)Cl)C3CC3

DOS

IR

Vibrations