Geometry & MOs

Info

ID:	430895
PubChem CID:	135170963
Reduced:	FO3N4C21H29 (1)
Stoich.:	AB3C4D21E29 (1)
Weight, g/mol:	288.129634
ΔH_f, kcal/mol:	-176.63
Dipole, Da:	3.52
IP(EA), eV:	-9.4(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-(thian-3-yl)-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NC(=O)OC(C)(C)C)C(=O)C2=NC3=C(N2)C=C(C=C3)F

DOS

IR

Vibrations