Geometry & MOs

Info

ID:	159190
PubChem CID:	57264354
Reduced:	N3O5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	296.198759
ΔH_f, kcal/mol:	-150.83
Dipole, Da:	4.28
IP(EA), eV:	-8.41(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1R,3S)-3-(3-butoxy-3-oxoprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C1COCCN1C(=O)NCCC2(C=CC=N2)CC(COC3=CC=C(C=C3)O)O

DOS

IR

Vibrations