Geometry & MOs

Info

ID:	125439
PubChem CID:	50924247
Reduced:	ClN3O5H20C25 (1)
Stoich.:	AB3C5D20E25 (1)
Weight, g/mol:	393.196489
ΔH_f, kcal/mol:	-87.88
Dipole, Da:	7.82
IP(EA), eV:	-9.48(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(cyclopropylamino)-7-(3-fluoro-4-piperidin-4-ylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=CC=CC(=C2)C3=NC(=CC=C3)C(=O)O)NC(=O)OC(C)C4=CC=CC=C4Cl

DOS

IR

Vibrations