Geometry & MOs

Info

ID:	127383
PubChem CID:	51000773
Reduced:	ON6C20H24 (1)
Stoich.:	AB6C20D24 (1)
Weight, g/mol:	406.24811
ΔH_f, kcal/mol:	37.7
Dipole, Da:	2.07
IP(EA), eV:	-8.56(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-tert-butylanilino)-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC1CCCN(C1)C2=NC=NC3=C2C=CN3)C4=CC=CC=C4

DOS

IR

Vibrations