Geometry & MOs

Info

ID:	160822
PubChem CID:	57389900
Reduced:	O3N5C24H33 (1)
Stoich.:	A3B5C24D33 (1)
Weight, g/mol:	427.294725
ΔH_f, kcal/mol:	-114.93
Dipole, Da:	2.53
IP(EA), eV:	-8.27(-0.04)
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-(2-methylpropyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(N(C2=C1C(=NC=N2)OC3CCN(CC3)C(=O)CN4CCCC4=O)C5CCCC5)C

DOS

IR

Vibrations