Geometry & MOs

Info

ID:	160801
PubChem CID:	57389816
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	437.222703
ΔH_f, kcal/mol:	-16.63
Dipole, Da:	4.2
IP(EA), eV:	-8.44(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[4-[7-(4-fluorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]oxypiperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(N(C2=C1C(=NC=N2)OCCN3CCOCC3)CC4=CC=CC=C4)C

DOS

IR

Vibrations