Geometry & MOs

Info

ID:	151582
PubChem CID:	53837816
Reduced:	NOC5H7 (2)
Stoich.:	ABC5D7 (2)
Weight, g/mol:	116.004434
ΔH_f, kcal/mol:	-50.11
Dipole, Da:	2.06
IP(EA), eV:	-8.68(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5lambda4-thia-1,4-diazabicyclo[2.1.1]hex-2-ene 5-oxide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N(CC(=O)OC)N

DOS

IR

Vibrations