Geometry & MOs

Info

ID:	385587
PubChem CID:	134979486
Reduced:	OH18C19 (1)
Stoich.:	AB18C19 (1)
Weight, g/mol:	319.214744
ΔH_f, kcal/mol:	33.7
Dipole, Da:	1.78
IP(EA), eV:	-9.34(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,4R)-2-[(Z)-but-1-enyl]-4-[(E)-but-1-enyl]-7-oxo-6-azabicyclo[3.2.0]heptane-6-carboxylate

Drug info:

PubChemData

Smile

CC1(C(=CCO1)C(=C)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations