Geometry & MOs

Info

ID:	275458
PubChem CID:	103816134
Reduced:	NOC13H25 (1)
Stoich.:	ABC13D25 (1)
Weight, g/mol:	227.170771
ΔH_f, kcal/mol:	-78.97
Dipole, Da:	2.14
IP(EA), eV:	-8.94(2.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6R)-8,8-dimethyl-N-(2-methylsulfanylethyl)bicyclo[4.2.0]octan-7-amine

Drug info:

PubChemData

Smile

CC(CNC1[C@@H]2CCCC[C@@H]2C1(C)C)O

DOS

IR

Vibrations