Geometry & MOs

Info

ID:	159612
PubChem CID:	57288533
Reduced:	NO2C16H19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	340.142307
ΔH_f, kcal/mol:	-59.31
Dipole, Da:	4.85
IP(EA), eV:	-8.46(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[(6-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid

Drug info:

PubChemData

Smile

COCC1=CC2=C(C=C1)NC=C2C3CCC(=O)CC3

DOS

IR

Vibrations