Geometry & MOs

Info

ID:	361309
PubChem CID:	127302504
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	346.211724
ΔH_f, kcal/mol:	-122.77
Dipole, Da:	2.76
IP(EA), eV:	-8.51(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2CCOCC2)NC(=O)N3C4CCC3CC(C4)O

DOS

IR

Vibrations