Geometry & MOs

Info

ID:	356739
PubChem CID:	127292220
Reduced:	OSN4C18H30 (1)
Stoich.:	ABC4D18E30 (1)
Weight, g/mol:	323.268511
ΔH_f, kcal/mol:	-33.17
Dipole, Da:	1.93
IP(EA), eV:	-8.91(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=NC(=CS1)C(C)(C)C)NC(=O)NC2CCN(CC2)C3CC3

DOS

IR

Vibrations