Geometry & MOs

Info

ID:	262120
PubChem CID:	103271611
Reduced:	NOSC12H25 (1)
Stoich.:	ABCD12E25 (1)
Weight, g/mol:	227.224915
ΔH_f, kcal/mol:	-78.57
Dipole, Da:	0.45
IP(EA), eV:	-8.55(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-ethoxy-3-methylbutan-2-yl)cycloheptanamine

Drug info:

PubChemData

Smile

CCOCC(C(C)C)NC1CCCSC1

DOS

IR

Vibrations