Geometry & MOs

Info

ID:	298939
PubChem CID:	117664412
Reduced:	FC15H15 (1)
Stoich.:	AB15C15 (1)
Weight, g/mol:	301.153875
ΔH_f, kcal/mol:	-20.39
Dipole, Da:	1.82
IP(EA), eV:	-9.23(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-1-[(1R,5S)-6-[[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CCC2=CC(=CC=C2)F

DOS

IR

Vibrations