Geometry & MOs

Info

ID:	356862
PubChem CID:	127292466
Reduced:	OSN5C16H27 (1)
Stoich.:	ABC5D16E27 (1)
Weight, g/mol:	325.284161
ΔH_f, kcal/mol:	-22.49
Dipole, Da:	3.86
IP(EA), eV:	-8.41(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-ethylpiperidin-3-yl)methyl]-3-[1-(4-methylpiperazin-1-yl)propan-2-yl]urea

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2CCN(C2)C(=O)NCC3=C(N=CS3)C

DOS

IR

Vibrations