Geometry & MOs

Info

ID:	186870
PubChem CID:	77499040
Reduced:	FN4O9C34H39 (1)
Stoich.:	AB4C9D34E39 (1)
Weight, g/mol:	496.259817
ΔH_f, kcal/mol:	-391.71
Dipole, Da:	5.92
IP(EA), eV:	-9.34(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-fluoro-N-methylanilino]ethanol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1F)C(=CC(=N2)C(=O)NC(CCC(=O)OC)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)OC(C4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations