Geometry & MOs

Info

ID:	286632
PubChem CID:	104179558
Reduced:	N2C11H16 (1)
Stoich.:	A2B11C16 (1)
Weight, g/mol:	316.218449
ΔH_f, kcal/mol:	33.48
Dipole, Da:	0.85
IP(EA), eV:	-9.12(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(3-ethylsulfanylpropylamino)azepane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)CNC2(CC2)C

DOS

IR

Vibrations