Geometry & MOs

Info

ID:

423866

PubChem CID:

135120533

Reduced:

N7O7C35H41 (1)

Stoich.:

A7B7C35D41 (1)

Weight, g/mol:

373.166938

ΔHf, kcal/mol:

-242.68

Dipole, Da:

8.8

IP(EA), eV:

 -8.56(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-chloro-N-[2-(dimethylamino)ethyl]-1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]indole-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@@H](C(=O)N2C[C@@H](C[C@H]2C(=O)N1)O)CC3=CNC4=CC=CC=C43)C(=O)CN5CCCC5=O)C6=CC=CC=C6

DOS

IR

Vibrations