Geometry & MOs

Info

ID:	317454
PubChem CID:	126637754
Reduced:	FO2N6C25H27 (1)
Stoich.:	AB2C6D25E27 (1)
Weight, g/mol:	469.208945
ΔH_f, kcal/mol:	-57.11
Dipole, Da:	3.93
IP(EA), eV:	-8.64(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-[3-(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-(2,2,2-trifluoroethyl)quinolin-2-amine

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@H](C[C@H]([C@@H]2O1)N3C=CC4=C(N=CN=C43)N)CCC5=CC6=NC(=C(C=C6C=C5)F)N)C

DOS

IR

Vibrations