Geometry & MOs

Info

ID:	66153
PubChem CID:	46500022
Reduced:	NO5H21C26 (1)
Stoich.:	AB5C21D26 (1)
Weight, g/mol:	366.155512
ΔH_f, kcal/mol:	-91.94
Dipole, Da:	4.48
IP(EA), eV:	-8.73(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-(azepan-1-yl)-2-oxoethyl]-2-methylindol-3-yl]-2,2,2-trifluoroethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)COC2=C(C=C(C=C2)C=C3C(=O)C4=CC=CC=C4C3=O)OC

DOS

IR

Vibrations