Geometry & MOs

Info

ID:	434895
PubChem CID:	135175930
Reduced:	ClFOSN3H17C18 (1)
Stoich.:	ABCDE3F17G18 (1)
Weight, g/mol:	168.162649
ΔH_f, kcal/mol:	-5.0
Dipole, Da:	3.46
IP(EA), eV:	-8.18(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-7-propan-2-yl-2,7-diazabicyclo[4.2.0]octane

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)F)C2=CC3=NSC(=C3C=C2Cl)N4CCNCC4

DOS

IR

Vibrations