Geometry & MOs

Info

ID:	356923
PubChem CID:	127292531
Reduced:	OS2N4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	325.193632
ΔH_f, kcal/mol:	-13.97
Dipole, Da:	4.03
IP(EA), eV:	-9.21(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[1-(4-methylpiperazin-1-yl)propan-2-yl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea

Drug info:

PubChemData

Smile

CC(C1=NC(=CS1)C(C)(C)C)NC(=O)N2CCC(CC2)C3=NC=CS3

DOS

IR

Vibrations