Geometry & MOs

Info

ID:	9114
PubChem CID:	86204
Reduced:	FCl2N2O3C15H19 (1)
Stoich.:	AB2C2D3E15F19 (1)
Weight, g/mol:	364.075676
ΔH_f, kcal/mol:	-174.47
Dipole, Da:	2.06
IP(EA), eV:	-9.13(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dichloro-N-[[1-(2-fluoroethyl)pyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1C(=O)NCC2CCCN2CCF)O)Cl)Cl

DOS

IR

Vibrations