Geometry & MOs

Info

ID:	307749
PubChem CID:	125308823
Reduced:	ClN3O4H20C26 (1)
Stoich.:	AB3C4D20E26 (1)
Weight, g/mol:	324.147393
ΔH_f, kcal/mol:	-4.08
Dipole, Da:	13.07
IP(EA), eV:	-8.27(-2.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dimethoxyphenyl)ethyl]-2H-indole-3-carboxamide

Drug info:

PubChemData

Smile

COC(=O)[C@@]1([C@@H]([C@@H](N2[C@H]1C3=CC=CC=C3C=C2)C(=O)NC4=CC=C(C=C4)Cl)C5=CC=CO5)C#N

DOS

IR

Vibrations