Geometry & MOs

Info

ID:	275459
PubChem CID:	103816143
Reduced:	NSC13H25 (1)
Stoich.:	ABC13D25 (1)
Weight, g/mol:	225.209264
ΔH_f, kcal/mol:	-27.12
Dipole, Da:	0.7
IP(EA), eV:	-8.56(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(1S,6R)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]butan-1-ol

Drug info:

PubChemData

Smile

CC1([C@H]2CCCC[C@H]2C1NCCSC)C

DOS

IR

Vibrations