Geometry & MOs

Info

ID:	443913
PubChem CID:	135260458
Reduced:	N6H20C23 (1)
Stoich.:	A6B20C23 (1)
Weight, g/mol:	437.221561
ΔH_f, kcal/mol:	158.67
Dipole, Da:	5.99
IP(EA), eV:	-8.57(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]cyclohex-3-ene-1-carbonitrile

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CC=C(C=C2)C3=CN=C4N3C(=CC=C4)NCC5=CN=CC=C5

DOS

IR

Vibrations