Geometry & MOs

Info

ID:	269445
PubChem CID:	103617504
Reduced:	FINOC14H19 (1)
Stoich.:	ABCDE14F19 (1)
Weight, g/mol:	390.06044
ΔH_f, kcal/mol:	-68.9
Dipole, Da:	4.96
IP(EA), eV:	-7.81(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(azepan-1-yl)ethyl]-4-fluoro-2-iodobenzamide

Drug info:

PubChemData

Smile

CC(C)CC(C)N(C)C(=O)C1=C(C=C(C=C1)F)I

DOS

IR

Vibrations