Geometry & MOs

Info

ID:	319903
PubChem CID:	126657535
Reduced:	OF3N7C21H22 (1)
Stoich.:	AB3C7D21E22 (1)
Weight, g/mol:	374.221895
ΔH_f, kcal/mol:	-73.93
Dipole, Da:	1.41
IP(EA), eV:	-8.99(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-methyl-4-[2-(1-methylpiperidin-4-yl)ethylamino]phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1OCCC2CCNCC2)C3=C4C(=NC(=N3)C#N)N(C(=N4)C(F)(F)F)C

DOS

IR

Vibrations