Geometry & MOs

Info

ID:	326496
PubChem CID:	126687665
Reduced:	ClNO4C15H20 (1)
Stoich.:	ABC4D15E20 (1)
Weight, g/mol:	485.181393
ΔH_f, kcal/mol:	-175.85
Dipole, Da:	6.49
IP(EA), eV:	-10.2(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2Z)-2-[6-[[(1R)-4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-1-benzofuran-3-ylidene]acetate

Drug info:

PubChemData

Smile

C[C@]12C(C(=O)N[C@@]1(C(=O)O2)C(C3CCCC=C3)O)CCCl

DOS

IR

Vibrations