Geometry & MOs

Info

ID:	402320
PubChem CID:	135055505
Reduced:	ClNO5H26C28 (1)
Stoich.:	ABC5D26E28 (1)
Weight, g/mol:	373.167794
ΔH_f, kcal/mol:	-147.18
Dipole, Da:	2.94
IP(EA), eV:	-8.83(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,5-dimethoxyphenyl)phenyl]-(2-methyl-1H-indol-3-yl)methanol

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1[C@@H]([C@H]2C=C([C@H]([C@]3([C@@H]2C1=O)C4=CC=CC=C4N(C3=O)C)C)C=O)C5=CC=CC=C5Cl

DOS

IR

Vibrations