Geometry & MOs

Info

ID:	378913
PubChem CID:	134225017
Reduced:	OC6H8 (3)
Stoich.:	AB6C8 (3)
Weight, g/mol:	290.127994
ΔH_f, kcal/mol:	-107.73
Dipole, Da:	6.78
IP(EA), eV:	-9.82(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]amino]cyclobutane-1-carbonitrile

Drug info:

PubChemData

Smile

CC12CCC34CC(C1)(CC3CC4(C2)C)C5CC(=O)OC5=O

DOS

IR

Vibrations