Geometry & MOs

Info

ID:	127426
PubChem CID:	51001932
Reduced:	ON4C12H14 (2)
Stoich.:	AB4C12D14 (2)
Weight, g/mol:	483.098584
ΔH_f, kcal/mol:	34.02
Dipole, Da:	5.1
IP(EA), eV:	-8.54(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-chloro-5-hydroxy-1-[4-(2-hydroxy-3-methoxyphenyl)phenyl]-7-oxo-4H-pyrrolo[3,2-b]pyridin-6-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C

DOS

IR

Vibrations