Geometry & MOs

Info

ID:	37093
PubChem CID:	8016823
Reduced:	NOC11H14 (2)
Stoich.:	ABC11D14 (2)
Weight, g/mol:	351.207253
ΔH_f, kcal/mol:	-46.51
Dipole, Da:	5.94
IP(EA), eV:	-8.77(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]-(3-methoxypropyl)azanium

Drug info:

PubChemData

Smile

CC(=O)CCC1=CC=C(C=C1)OCCN2CCCC[C@H]2C3=CN=CC=C3

DOS

IR

Vibrations