Geometry & MOs

Info

ID:	356575
PubChem CID:	127291801
Reduced:	O3N4C15H22 (1)
Stoich.:	A3B4C15D22 (1)
Weight, g/mol:	398.170253
ΔH_f, kcal/mol:	-106.96
Dipole, Da:	2.22
IP(EA), eV:	-9.2(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazine-1-carbonyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)C3CCC(=O)N3)C

DOS

IR

Vibrations