Geometry & MOs

Info

ID:	401530
PubChem CID:	135051526
Reduced:	O2H15C21 (1)
Stoich.:	A2B15C21 (1)
Weight, g/mol:	323.107692
ΔH_f, kcal/mol:	36.3
Dipole, Da:	2.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.378702
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-[(E)-2-methoxyethenyl]-2-[(E)-1-phenylprop-1-enyl]-1H-indole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C([O+]=C(O2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations