Geometry & MOs

Info

ID:	127440
PubChem CID:	51002379
Reduced:	N5O5H29C30 (1)
Stoich.:	A5B5C29D30 (1)
Weight, g/mol:	393.068033
ΔH_f, kcal/mol:	-81.23
Dipole, Da:	3.64
IP(EA), eV:	-8.39(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-[4-(2-fluoro-4-methylphenyl)phenyl]-5-hydroxy-7-oxo-4H-pyrrolo[3,2-b]pyridine-6-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCN2C(=O)CN(C3=C2C=CC(=C3)NC(=O)C4=CC=CO4)C(=O)CNCC5=CC=CC=N5

DOS

IR

Vibrations