Geometry & MOs

Info

ID:	352472
PubChem CID:	127283560
Reduced:	O2N5C21H27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	369.154938
ΔH_f, kcal/mol:	-30.66
Dipole, Da:	4.45
IP(EA), eV:	-9.57(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-7-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CC2=CC=CC=C2)C(=O)N3CCCC(C3)N4C=NC=N4

DOS

IR

Vibrations