Geometry & MOs

Info

ID:	233565
PubChem CID:	91145468
Reduced:	NOC5H6 (4)
Stoich.:	ABC5D6 (4)
Weight, g/mol:	139.063329
ΔH_f, kcal/mol:	-133.72
Dipole, Da:	1.04
IP(EA), eV:	-8.35(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-3-azabicyclo[3.2.0]hepta-1,4-diene-2,4-diol

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2C=C3C=C(C=CC3=C2O)CNC(=O)C4CCNCC4

DOS

IR

Vibrations