Geometry & MOs

Info

ID:	81796
PubChem CID:	49855170
Reduced:	N4O4C17H20 (1)
Stoich.:	A4B4C17D20 (1)
Weight, g/mol:	457.166492
ΔH_f, kcal/mol:	-107.41
Dipole, Da:	6.57
IP(EA), eV:	-8.97(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2R)-1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]-6,7-dihydro-5H-indene-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)CC2=NC(=O)C=C(N2)N3CCOCC3

DOS

IR

Vibrations