Geometry & MOs

Info

ID:	431416
PubChem CID:	135171491
Reduced:	O3N4C18H24 (1)
Stoich.:	A3B4C18D24 (1)
Weight, g/mol:	354.180424
ΔH_f, kcal/mol:	-103.07
Dipole, Da:	8.13
IP(EA), eV:	-8.97(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-7-[4-(1-methylpyrazol-4-yl)oxypiperidin-1-yl]-1H-pyrido[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC2=C(NC(=O)NC2=O)N=C1N3CCC(CC3)OCC4(CC4)C

DOS

IR

Vibrations