Geometry & MOs

Info

ID:	396355
PubChem CID:	135028193
Reduced:	ClNO3H16C19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	425.183838
ΔH_f, kcal/mol:	-51.42
Dipole, Da:	4.48
IP(EA), eV:	-9.84(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-2-oxo-3-prop-2-enylindole-3-carboxylate

Drug info:

PubChemData

Smile

C1CC(=O)[C@@]2(C1)C(=O)N(C23C=CC(=O)C=C3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations