Geometry & MOs

Info

ID:	283446
PubChem CID:	103981649
Reduced:	ON3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	276.124961
ΔH_f, kcal/mol:	-48.36
Dipole, Da:	4.66
IP(EA), eV:	-8.43(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-fluoro-3-(trifluoromethyl)phenyl]azepan-4-amine

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC(=C(C=C1)NC2CCCNCC2)C

DOS

IR

Vibrations