Geometry & MOs

Info

ID:	361379
PubChem CID:	127303245
Reduced:	O3N7C18H19 (1)
Stoich.:	A3B7C18D19 (1)
Weight, g/mol:	381.154938
ΔH_f, kcal/mol:	-16.0
Dipole, Da:	4.83
IP(EA), eV:	-9.74(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=N2)C(=O)N3CCN4C(=NN=C4C5CC5)C3)C(=O)N(C1=O)C

DOS

IR

Vibrations