Geometry & MOs

Info

ID:

329350

PubChem CID:

126735098

Reduced:

NH4C7 (8)

Stoich.:

AB4C7 (8)

Weight, g/mol:

274.168128

ΔHf, kcal/mol:

391.22

Dipole, Da:

2.72

IP(EA), eV:

 -7.88(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(1,4-dimethylindol-3-yl)-N-(2-hydroxyethyl)-N-methylpropanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)N(C5=CC=CC=C54)C6=CC=C(C=C6)C7=CC(=C(C(=C7)C#N)C8=NC(=NC(=C8)C9=CC=CC=C9C#N)C1=CC=CC=C1C#N)C#N

DOS

IR

Vibrations