Geometry & MOs

Info

ID:	21733
PubChem CID:	589695
Reduced:	ON2C5H5 (2)
Stoich.:	AB2C5D5 (2)
Weight, g/mol:	218.080376
ΔH_f, kcal/mol:	-0.52
Dipole, Da:	4.41
IP(EA), eV:	-10.01(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-methylpteridine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC=NC2=NC(=CN=C12)C

DOS

IR

Vibrations