Geometry & MOs

Info

ID:	358468
PubChem CID:	127296064
Reduced:	O3N4C16H30 (1)
Stoich.:	A3B4C16D30 (1)
Weight, g/mol:	339.172896
ΔH_f, kcal/mol:	-150.5
Dipole, Da:	4.04
IP(EA), eV:	-8.63(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CCNC(=O)N(C)CC2CCCOC2

DOS

IR

Vibrations