Geometry & MOs

Info

ID:	234862
PubChem CID:	92303619
Reduced:	N2O2F3H19C23 (1)
Stoich.:	A2B2C3D19E23 (1)
Weight, g/mol:	392.209993
ΔH_f, kcal/mol:	-158.3
Dipole, Da:	2.81
IP(EA), eV:	-8.67(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(1,3-benzodioxol-5-yl)-N-hexyl-3-(1H-indol-3-yl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)[C@H](CC(=O)NCC3=CC=CO3)C4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations