Geometry & MOs

Info

ID:	378789
PubChem CID:	134224888
Reduced:	NOC28H33 (1)
Stoich.:	ABC28D33 (1)
Weight, g/mol:	391.161995
ΔH_f, kcal/mol:	16.33
Dipole, Da:	1.15
IP(EA), eV:	-7.78(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]cyclopentyl]-N-(2,2,2-trifluoroethyl)acetamide

Drug info:

PubChemData

Smile

CCC1(C2=CC=CC=C2C3=CC=CC=C31)/C=C/C(=C(/C)\C=C(/C)\O)/N/C=C/C(C)C

DOS

IR

Vibrations