Geometry & MOs

Info

ID:	210859
PubChem CID:	80863821
Reduced:	O2N4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	307.07391
ΔH_f, kcal/mol:	-22.31
Dipole, Da:	2.7
IP(EA), eV:	-9.13(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(ethylamino)-3-nitropyridin-2-yl]sulfanyl-6-methyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC1=NC(=NC(=N1)N)OC2=CC(=C(C=C2)C)C

DOS

IR

Vibrations