Geometry & MOs

Info

ID:	189456
PubChem CID:	77860539
Reduced:	O3N5C15H15 (1)
Stoich.:	A3B5C15D15 (1)
Weight, g/mol:	250.156895
ΔH_f, kcal/mol:	-79.1
Dipole, Da:	4.87
IP(EA), eV:	-9.43(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3-(8-hydroxyoct-1-ynyl)bicyclo[3.2.0]heptan-6-one

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)N(C3C(NC(=O)NC3=O)N)C(=O)N

DOS

IR

Vibrations