Geometry & MOs

Info

ID:	190708
PubChem CID:	78044920
Reduced:	FPO3N5C10H15 (1)
Stoich.:	ABC3D5E10F15 (1)
Weight, g/mol:	527.280887
ΔH_f, kcal/mol:	-162.48
Dipole, Da:	2.28
IP(EA), eV:	-9.01(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[6-(5-fluoro-2-methylphenyl)-2-(3-methyl-1H-indol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-methylpiperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CP(=O)(COC(CN1C=NC2=C(N=CN=C21)N)CF)O

DOS

IR

Vibrations