Geometry & MOs

Info

ID:	246147
PubChem CID:	103046624
Reduced:	ClFNOC17H21 (1)
Stoich.:	ABCDE17F21 (1)
Weight, g/mol:	297.12957
ΔH_f, kcal/mol:	-93.32
Dipole, Da:	1.46
IP(EA), eV:	-9.14(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(5-chloro-2-fluorophenyl)methyl]azepan-2-yl]propan-2-one

Drug info:

PubChemData

Smile

C1CCC(=O)C(C1)C2CCCN2CC3=C(C=CC(=C3)Cl)F

DOS

IR

Vibrations