Geometry & MOs

Info

ID:	228468
PubChem CID:	87564681
Reduced:	BrClFN2O3H15C17 (1)
Stoich.:	ABCD2E3F15G17 (1)
Weight, g/mol:	547.16611
ΔH_f, kcal/mol:	-78.48
Dipole, Da:	2.48
IP(EA), eV:	-8.7(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-(diethylamino)cyclobutyl]methyl]-3-(2,6-difluorophenyl)-3-hydroxy-2-oxo-4-(trifluoromethyl)indole-6-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NCCN(CC2=C(C=C(C=C2)F)Cl)OC(=O)C=O)Br

DOS

IR

Vibrations