Geometry & MOs

Info

ID:	354360
PubChem CID:	127286486
Reduced:	SN3O4C19H29 (1)
Stoich.:	AB3C4D19E29 (1)
Weight, g/mol:	374.27941
ΔH_f, kcal/mol:	-183.12
Dipole, Da:	4.82
IP(EA), eV:	-9.67(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-ethylpiperidin-3-yl)methyl]-3-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2CNC(=O)NCC3(CCCC3)O

DOS

IR

Vibrations