Geometry & MOs

Info

ID:	380080
PubChem CID:	134964901
Reduced:	NO4C15H17 (1)
Stoich.:	AB4C15D17 (1)
Weight, g/mol:	260.141245
ΔH_f, kcal/mol:	-134.17
Dipole, Da:	3.19
IP(EA), eV:	-9.77(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E,5R)-5-hydroxy-5-(1-phenylcyclopropyl)pent-2-enoate

Drug info:

PubChemData

Smile

C[C@]1([C@H](CC(=N1)C2=CC=CC=C2)C(=O)OC)C(=O)OC

DOS

IR

Vibrations