Geometry & MOs

Info

ID:	341135
PubChem CID:	127263570
Reduced:	ClNOC7H14 (1)
Stoich.:	ABCD7E14 (1)
Weight, g/mol:	354.101426
ΔH_f, kcal/mol:	-89.4
Dipole, Da:	2.43
IP(EA), eV:	-9.41(1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-3,8-diazabicyclo[4.2.0]octane;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C1CC2C(CCC1N2)O.Cl

DOS

IR

Vibrations