Geometry & MOs

Info

ID:	48380
PubChem CID:	10542929
Reduced:	NOC21H27 (1)
Stoich.:	ABC21D27 (1)
Weight, g/mol:	309.155121
ΔH_f, kcal/mol:	-19.77
Dipole, Da:	2.22
IP(EA), eV:	-8.61(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-2-ethyl-6-propan-2-ylindole-5-thiol

Drug info:

PubChemData

Smile

C1CN(CCC1CC2=CC=C(C=C2)O)CCCC3=CC=CC=C3

DOS

IR

Vibrations