Geometry & MOs

Info

ID:	151565
PubChem CID:	53837798
Reduced:	SN4C20H20 (1)
Stoich.:	AB4C20D20 (1)
Weight, g/mol:	291.125929
ΔH_f, kcal/mol:	194.0
Dipole, Da:	1.86
IP(EA), eV:	-8.54(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(2-phenylethenyl)-1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=CC=CC3=CC=C4C(=CSC4=CC#N)N=C32

DOS

IR

Vibrations