Geometry & MOs

Info

ID:	448742
PubChem CID:	135293177
Reduced:	ClON4H27C32 (1)
Stoich.:	ABC4D27E32 (1)
Weight, g/mol:	340.201159
ΔH_f, kcal/mol:	112.08
Dipole, Da:	6.41
IP(EA), eV:	-8.37(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-amino-5-(N'-ethylcarbamimidoyl)-3-methylpyridin-2-yl]-3-(1-phenylethyl)urea

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N=C(C2=CN=C(C=C2NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)Cl)N

DOS

IR

Vibrations