Geometry & MOs

Info

ID:	159772
PubChem CID:	57288734
Reduced:	NS2O4C21H21 (1)
Stoich.:	AB2C4D21E21 (1)
Weight, g/mol:	96.068748
ΔH_f, kcal/mol:	-84.63
Dipole, Da:	4.18
IP(EA), eV:	-9.21(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-diazabicyclo[3.2.0]hept-2-ene

Drug info:

PubChemData

Smile

CC1([C@@H]([C@H]1C(=O)OCC2=CN=C(S2)OC3=CC=CC=C3)C=C4CCSC4=O)C

DOS

IR

Vibrations