Geometry & MOs

Info

ID:	45330
PubChem CID:	10511330
Reduced:	OC11H20 (1)
Stoich.:	AB11C20 (1)
Weight, g/mol:	170.069142
ΔH_f, kcal/mol:	-55.12
Dipole, Da:	2.55
IP(EA), eV:	-9.7(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6R)-3-(2-hydroxyethyl)-3,4-diazabicyclo[4.1.0]heptane-2,5-dione

Drug info:

PubChemData

Smile

CC(C)(C)CC(=C)CC(C=C)O

DOS

IR

Vibrations