Geometry & MOs

Info

ID:	297030
PubChem CID:	117606536
Reduced:	ClFNO2C17H17 (1)
Stoich.:	ABCD2E17F17 (1)
Weight, g/mol:	376.135384
ΔH_f, kcal/mol:	-86.81
Dipole, Da:	5.68
IP(EA), eV:	-9.27(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[3-[(1S)-1-aminopropyl]-6-chloro-2-fluorophenoxy]phenyl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC[C@@H](C1=C(C(=C(C=C1)Cl)OC2=CC=CC(=C2)C(=O)C)F)N

DOS

IR

Vibrations