Geometry & MOs

Info

ID:	350650
PubChem CID:	127278685
Reduced:	ON5C21H33 (1)
Stoich.:	AB5C21D33 (1)
Weight, g/mol:	360.26376
ΔH_f, kcal/mol:	-24.37
Dipole, Da:	4.93
IP(EA), eV:	-8.21(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylamino)-N-[[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]methyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=NC=C(C=C2)CNC(=O)N3CCCC3C4CCC4

DOS

IR

Vibrations