Geometry & MOs

Info

ID:	448764
PubChem CID:	135293444
Reduced:	O3N4C11H14 (1)
Stoich.:	A3B4C11D14 (1)
Weight, g/mol:	345.171336
ΔH_f, kcal/mol:	-76.13
Dipole, Da:	5.14
IP(EA), eV:	-9.5(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-amino-5-(N'-ethylcarbamimidoyl)pyridin-2-yl]-3-[1-(6-fluoropyridin-3-yl)ethyl]urea

Drug info:

PubChemData

Smile

CNC1=NC(=O)N(C=C1)C2C(CC(O2)CO)C#N

DOS

IR

Vibrations