Geometry & MOs

Info

ID:	160819
PubChem CID:	57389897
Reduced:	ON4C22H28 (1)
Stoich.:	AB4C22D28 (1)
Weight, g/mol:	413.279075
ΔH_f, kcal/mol:	13.06
Dipole, Da:	2.21
IP(EA), eV:	-8.37(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(7-cyclopentyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)oxypiperidin-1-yl]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CC1=C(N(C2=C1C(=NC=N2)OCCN3CCCCC3)CC4=CC=CC=C4)C

DOS

IR

Vibrations