Geometry & MOs

Info

ID:	448747
PubChem CID:	135293248
Reduced:	ClON6C15H17 (1)
Stoich.:	ABC6D15E17 (1)
Weight, g/mol:	331.155686
ΔH_f, kcal/mol:	0.87
Dipole, Da:	2.73
IP(EA), eV:	-9.41(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-amino-5-(N'-ethylcarbamimidoyl)pyridin-2-yl]-3-[(3-fluoropyridin-2-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)Cl)CNC(=O)NC2=NC=C(C(=C2)N)C(=N)N

DOS

IR

Vibrations