Geometry & MOs

Info

ID:	161561
PubChem CID:	57391999
Reduced:	ClF4O5N8C31H33 (1)
Stoich.:	AB4C5D8E31F33 (1)
Weight, g/mol:	329.159121
ΔH_f, kcal/mol:	-348.26
Dipole, Da:	7.64
IP(EA), eV:	-8.89(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(fluoromethyl)-1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]

Drug info:

PubChemData

Smile

CC1(CC(C(=O)NC2=C1C=CC(=C2)NC3=NC=C(C(=N3)NC4=C(C=CC=C4F)C(=O)NC)Cl)NC(=O)N5CCCC5)C.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations