Geometry & MOs

Info

ID:	307357
PubChem CID:	125299677
Reduced:	OSN5H13C16 (1)
Stoich.:	ABC5D13E16 (1)
Weight, g/mol:	396.183778
ΔH_f, kcal/mol:	74.08
Dipole, Da:	5.35
IP(EA), eV:	-8.52(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NN2)C(=O)N[C@@H]3NC(=CS3)C4=CC=NC=C4

DOS

IR

Vibrations