Geometry & MOs

Info

ID:	426505
PubChem CID:	135144544
Reduced:	ClN2C12H21 (1)
Stoich.:	AB2C12D21 (1)
Weight, g/mol:	339.133139
ΔH_f, kcal/mol:	-30.71
Dipole, Da:	3.65
IP(EA), eV:	-8.06(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-bis(2,4-diaminophenoxy)-1H-pyridin-4-one

Drug info:

PubChemData

Smile

CCCC1=C(C(=CC(=C1N)CCl)C)C.N

DOS

IR

Vibrations