Geometry & MOs

Info

ID:	172628
PubChem CID:	75532774
Reduced:	ON3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	333.162332
ΔH_f, kcal/mol:	31.65
Dipole, Da:	3.25
IP(EA), eV:	-8.7(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]phenyl]-3-cyclopropylurea

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=NCC2=CC3=CC=CC=C3O2)NC4CC4

DOS

IR

Vibrations