Geometry & MOs

Info

ID:	142269
PubChem CID:	53007733
Reduced:	O3N4C16H22 (1)
Stoich.:	A3B4C16D22 (1)
Weight, g/mol:	332.148455
ΔH_f, kcal/mol:	-124.22
Dipole, Da:	3.69
IP(EA), eV:	-9.68(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,7-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=N1)N(C(=O)N(C2=O)C)C)C(=O)NCCC(C)C

DOS

IR

Vibrations