Geometry & MOs

Info

ID:	162232
PubChem CID:	57394005
Reduced:	O3C8H8 (4)
Stoich.:	A3B8C8 (4)
Weight, g/mol:	308.163711
ΔH_f, kcal/mol:	-457.62
Dipole, Da:	0.9
IP(EA), eV:	-8.75(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclohexylamino)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-4-one

Drug info:

PubChemData

Smile

CC(C)CC(=O)C1=C(C(=C(C(=C1O)C(C2=CC3=C(C=C2)OCO3)C4=C(C(=C(C(=C4O)C=O)O)C(=O)CC(C)C)O)O)C=O)O

DOS

IR

Vibrations