Geometry & MOs

Info

ID:	437231
PubChem CID:	135216344
Reduced:	FON3C20H26 (1)
Stoich.:	ABC3D20E26 (1)
Weight, g/mol:	553.248918
ΔH_f, kcal/mol:	-70.35
Dipole, Da:	4.71
IP(EA), eV:	-8.84(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[4-[([1]benzofuro[3,2-d]pyrimidin-4-ylamino)methyl]-3-fluorophenyl]-4-(4,4-dimethylpiperidin-1-yl)-2-methylpyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CCC1=C(C(=CN=C1C)C2=CNC(=O)C(=C2)F)N3CCC(CC3)(C)C

DOS

IR

Vibrations