Geometry & MOs

Info

ID:	128611
PubChem CID:	51052142
Reduced:	O2N4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	408.132136
ΔH_f, kcal/mol:	-11.07
Dipole, Da:	1.74
IP(EA), eV:	-8.41(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethoxyphenyl)-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

COCC1=NC2=C(N1)C=C(C=C2)NC(=O)CCCC3=CNC4=CC=CC=C43

DOS

IR

Vibrations