Geometry & MOs

Info

ID:	245338
PubChem CID:	99443572
Reduced:	F3O3N4H13C18 (1)
Stoich.:	A3B3C4D13E18 (1)
Weight, g/mol:	364.215078
ΔH_f, kcal/mol:	-98.18
Dipole, Da:	6.98
IP(EA), eV:	-9.62(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethyl-1H-indol-3-yl)-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CCC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3F)F)[N+](=O)[O-]

DOS

IR

Vibrations