Geometry & MOs

Info

ID:	139421
PubChem CID:	52529109
Reduced:	OSN5C20H29 (1)
Stoich.:	ABC5D20E29 (1)
Weight, g/mol:	295.120843
ΔH_f, kcal/mol:	13.14
Dipole, Da:	3.03
IP(EA), eV:	-9.33(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenoxyethyl 2-methyl-1H-indole-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC(CC1)CC2=CC=CC=C2)SC3=NN=NN3C(C)(C)C

DOS

IR

Vibrations