Geometry & MOs

Info

ID:	130128
PubChem CID:	51075003
Reduced:	ON3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	227.071306
ΔH_f, kcal/mol:	-23.15
Dipole, Da:	4.06
IP(EA), eV:	-9.12(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azepan-1-yl-(5-chlorofuran-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C(=O)N2CCCCC2

DOS

IR

Vibrations