Geometry & MOs

Info

ID:	85163
PubChem CID:	49872173
Reduced:	OCl2N3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	308.152478
ΔH_f, kcal/mol:	42.01
Dipole, Da:	33.81
IP(EA), eV:	-6.53(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,3-trimethyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-2H-indole

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)/C=C/C2C=CN(C3=CC=CC=C23)C)N.[Cl-].[Cl-]

DOS

IR

Vibrations