Geometry & MOs

Info

ID:	398606
PubChem CID:	135034237
Reduced:	N2O7C24H30 (1)
Stoich.:	A2B7C24D30 (1)
Weight, g/mol:	449.183838
ΔH_f, kcal/mol:	-260.02
Dipole, Da:	5.77
IP(EA), eV:	-8.4(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-ethyl-3-(3-hydroxy-4,5-dimethoxyphenyl)indol-2-yl]-2,3-dimethoxyphenol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@]1(C2=CC=CC=C2N(C1=O)COC)C3=C(C=C(C=C3OC)OC)OC

DOS

IR

Vibrations