Geometry & MOs

Info

ID:	396891
PubChem CID:	135029396
Reduced:	ClO3N4C14H17 (1)
Stoich.:	AB3C4D14E17 (1)
Weight, g/mol:	251.131014
ΔH_f, kcal/mol:	-51.14
Dipole, Da:	3.19
IP(EA), eV:	-9.17(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-phenylmethoxyethyl)-1H-indole

Drug info:

PubChemData

Smile

CCOC1[C@H]([C@@H](C2=CC=CC=C2N1C(=O)OCC)Cl)N=[N+]=[N-]

DOS

IR

Vibrations