Geometry & MOs

Info

ID:	181230
PubChem CID:	76718807
Reduced:	ON3C20H23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	260.116092
ΔH_f, kcal/mol:	8.89
Dipole, Da:	3.15
IP(EA), eV:	-8.17(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-cyclopropylethyl)-2-ethyl-4aH-pyrano[2,3-d]pyrimidine-4,7-dione

Drug info:

PubChemData

Smile

CCC(CC1=CC=CC=C1)N2C(=NC3=C(C2=O)C=C(C=C3)NC)C

DOS

IR

Vibrations