Geometry & MOs

Info

ID:	361378
PubChem CID:	127303244
Reduced:	O2N4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	381.154938
ΔH_f, kcal/mol:	22.47
Dipole, Da:	3.16
IP(EA), eV:	-9.15(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(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

CC1=C2C(=CC=C1)C(=C(O2)C(=O)N3CCN4C(=NN=C4C5CC5)C3)C

DOS

IR

Vibrations