Geometry & MOs

Info

ID:	267837
PubChem CID:	103589721
Reduced:	FN2C11H17 (1)
Stoich.:	AB2C11D17 (1)
Weight, g/mol:	222.153227
ΔH_f, kcal/mol:	-46.42
Dipole, Da:	2.77
IP(EA), eV:	-8.19(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)-5-fluoro-4-methylaniline

Drug info:

PubChemData

Smile

CCN(CC)C1=C(C=C(C(=C1)C)F)N

DOS

IR

Vibrations