Geometry & MOs

Info

ID:	283433
PubChem CID:	103980324
Reduced:	NC5H11 (2)
Stoich.:	AB5C11 (2)
Weight, g/mol:	324.277678
ΔH_f, kcal/mol:	-31.23
Dipole, Da:	2.33
IP(EA), eV:	-8.81(2.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(cyclooctylamino)azepane-1-carboxylate

Drug info:

PubChemData

Smile

CCC(C)NC1CCCNCC1

DOS

IR

Vibrations