Geometry & MOs

Info

ID:	130184
PubChem CID:	51075176
Reduced:	OSN5C16H27 (1)
Stoich.:	ABC5D16E27 (1)
Weight, g/mol:	345.162332
ΔH_f, kcal/mol:	-18.62
Dipole, Da:	3.43
IP(EA), eV:	-8.69(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-3-(thiophen-2-ylmethyl)urea

Drug info:

PubChemData

Smile

C1CCN(CC1)CCCNC(=O)N2CCN(CC2)C3=NC=CS3

DOS

IR

Vibrations