Geometry & MOs

Info

ID:	307354
PubChem CID:	125299672
Reduced:	O9C46H66 (1)
Stoich.:	A9B46C66 (1)
Weight, g/mol:	396.183778
ΔH_f, kcal/mol:	-441.85
Dipole, Da:	5.86
IP(EA), eV:	-8.91(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[bis[(2S)-2-methyl-2H-indol-3-yl]methyl]-6-methoxyphenol

Drug info:

PubChemData

Smile

CCCCC[C@@H](CC[C@@H]1[C@@H](C[C@H]2[C@@H]1CC3=C(C2)C(=CC=C3)OCC(=O)O[C@@H]4C[C@@H]5CC6=C(C[C@@H]5[C@@H]4CC[C@@H](CCCCC)O)C=CC=C6OCC(=O)O)O)O

DOS

IR

Vibrations