Geometry & MOs

Info

ID:	430194
PubChem CID:	135170257
Reduced:	SN2O4C19H26 (1)
Stoich.:	AB2C4D19E26 (1)
Weight, g/mol:	166.110613
ΔH_f, kcal/mol:	-159.12
Dipole, Da:	4.87
IP(EA), eV:	-9.55(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,8-diazatricyclo[5.1.1.02,6]nonan-4-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@@H]2[C@H]3CC[C@@H]([C@@H]2C1)N3S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations