Geometry & MOs

Info

ID:	362843
PubChem CID:	127309672
Reduced:	O2N5C20H29 (1)
Stoich.:	A2B5C20D29 (1)
Weight, g/mol:	381.193153
ΔH_f, kcal/mol:	-27.92
Dipole, Da:	1.13
IP(EA), eV:	-8.84(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-chloropyridin-2-yl)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

COCCN1CCCC1CNC(=O)N2CCN(CC2)C3=CC=CC=C3C#N

DOS

IR

Vibrations