Geometry & MOs

Info

ID:	164341
PubChem CID:	74383041
Reduced:	F2N3O3C29H37 (1)
Stoich.:	A2B3C3D29E37 (1)
Weight, g/mol:	464.253589
ΔH_f, kcal/mol:	-227.6
Dipole, Da:	3.57
IP(EA), eV:	-9.07(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[2-(3-aminopiperidin-1-yl)-4-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol

Drug info:

PubChemData

Smile

CCCCC1CCN(C1=O)C(C)C(=O)NC(CC2=CC(=CC(=C2)F)F)C(C3CC4=CC=CC=C4CN3)O

DOS

IR

Vibrations