Geometry & MOs

Info

ID:	269290
PubChem CID:	103616768
Reduced:	ClINO2H15C16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	264.127406
ΔH_f, kcal/mol:	-28.11
Dipole, Da:	5.34
IP(EA), eV:	-9.47(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-amino-2-(4-fluorophenyl)ethyl]azepane-2,7-dione

Drug info:

PubChemData

Smile

COCC1=CC=CC(=C1)CNC(=O)C2=C(C=CC(=C2)Cl)I

DOS

IR

Vibrations