Geometry & MOs

Info

ID:	167046
PubChem CID:	74772257
Reduced:	N3O6H17C18 (1)
Stoich.:	A3B6C17D18 (1)
Weight, g/mol:	381.132471
ΔH_f, kcal/mol:	-156.46
Dipole, Da:	5.15
IP(EA), eV:	-8.98(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-amino-6-methyl-2-(3-phenylprop-2-enoyloxymethyl)furo[2,3-d]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)COC(=O)C=CC3=CC=CO3)C

DOS

IR

Vibrations