Geometry & MOs

Info

ID:	357768
PubChem CID:	127294547
Reduced:	N3O4C20H25 (1)
Stoich.:	A3B4C20D25 (1)
Weight, g/mol:	397.186238
ΔH_f, kcal/mol:	-122.43
Dipole, Da:	2.3
IP(EA), eV:	-8.47(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1N2CCC(C2)NC(=O)C3CCN(C3=O)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations