Geometry & MOs

Info

ID:	28239
PubChem CID:	826457
Reduced:	ClOSH11C14 (1)
Stoich.:	ABCD11E14 (1)
Weight, g/mol:	278.105528
ΔH_f, kcal/mol:	-7.54
Dipole, Da:	0.79
IP(EA), eV:	-8.74(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-[(E)-2-nitroethenyl]indole

Drug info:

PubChemData

Smile

C1[C@@H](C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)O

DOS

IR

Vibrations