Geometry & MOs

Info

ID:	389863
PubChem CID:	134995634
Reduced:	NC5H7 (2)
Stoich.:	AB5C7 (2)
Weight, g/mol:	236.104859
ΔH_f, kcal/mol:	167.27
Dipole, Da:	0.3
IP(EA), eV:	-8.92(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E,4S)-4-hydroxy-5-phenylmethoxypent-2-enoate

Drug info:

PubChemData

Smile

C1C2CC1C2N=NC34CC(C3)C4

DOS

IR

Vibrations