Geometry & MOs

Info

ID:	362850
PubChem CID:	127309679
Reduced:	O2N6C17H28 (1)
Stoich.:	A2B6C17D28 (1)
Weight, g/mol:	372.227374
ΔH_f, kcal/mol:	-42.72
Dipole, Da:	3.48
IP(EA), eV:	-8.88(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-cyanopyridin-2-yl)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

COCCN1CCCC1CNC(=O)N2CCN(CC2)C3=NC=CN=C3

DOS

IR

Vibrations