Geometry & MOs

Info

ID:	160820
PubChem CID:	57389898
Reduced:	O2N5C23H35 (1)
Stoich.:	A2B5C23D35 (1)
Weight, g/mol:	427.294725
ΔH_f, kcal/mol:	-87.49
Dipole, Da:	1.54
IP(EA), eV:	-8.31(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N(C2=C1C(=NC=N2)OC3CCN(CC3)CC(=O)NC(C)C)C4CCCC4)C

DOS

IR

Vibrations