Geometry & MOs

Info

ID:	333982
PubChem CID:	127252534
Reduced:	ClN5O7H28C32 (1)
Stoich.:	AB5C7D28E32 (1)
Weight, g/mol:	391.189592
ΔH_f, kcal/mol:	-162.25
Dipole, Da:	9.78
IP(EA), eV:	-8.73(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethoxy-1-methyl-N-[2-(1-methylindol-3-yl)ethyl]indole-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(C(C3=C(N2)N(C(=O)N(C3=O)C)C)C4=CC=C(C=C4)N5C=CC=N5)C(=O)[C@]16C(=O)C7=C(O6)C(=C(C=C7OC)OC)Cl

DOS

IR

Vibrations