Geometry & MOs

Info

ID:	425627
PubChem CID:	135127030
Reduced:	NO2C15H25 (1)
Stoich.:	AB2C15D25 (1)
Weight, g/mol:	239.115758
ΔH_f, kcal/mol:	-93.42
Dipole, Da:	2.83
IP(EA), eV:	-9.11(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.2.0]hept-6-ene-3-carboxylic acid

Drug info:

PubChemData

Smile

CC/C=C\C(=C/C=C)\C(C)OC(=O)NC(C)(C)C

DOS

IR

Vibrations