Geometry & MOs

Info

ID:	352602
PubChem CID:	127283691
Reduced:	O2N3C21H25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	345.216475
ΔH_f, kcal/mol:	-63.4
Dipole, Da:	3.56
IP(EA), eV:	-8.72(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N'-[[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]methyl]-1-N-methylcyclopropane-1,1-dicarboxamide

Drug info:

PubChemData

Smile

C1CCC(C(C1)C(=O)NC2=CC3=C(C=C2)N=CC=C3)C(=O)N4CCCC4

DOS

IR

Vibrations