Geometry & MOs

Info

ID:	75822
PubChem CID:	48424024
Reduced:	NO2C18H27 (1)
Stoich.:	AB2C18D27 (1)
Weight, g/mol:	339.140135
ΔH_f, kcal/mol:	-65.09
Dipole, Da:	4.28
IP(EA), eV:	-9.2(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-1-yl]-2-(cyclopropylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CCCCC1=CC=CC=C1)OCC2CC2

DOS

IR

Vibrations