Geometry & MOs

Info

ID:	207406
PubChem CID:	80392587
Reduced:	OSN3C11H19 (1)
Stoich.:	ABC3D11E19 (1)
Weight, g/mol:	294.230728
ΔH_f, kcal/mol:	-18.82
Dipole, Da:	4.34
IP(EA), eV:	-8.44(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,4-diazepan-1-yl)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanone

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=S)N)OC(C)C(C)C)C

DOS

IR

Vibrations