Geometry & MOs

Info

ID:	405639
PubChem CID:	135074749
Reduced:	NO5C21H25 (1)
Stoich.:	AB5C21D25 (1)
Weight, g/mol:	320.162374
ΔH_f, kcal/mol:	-144.88
Dipole, Da:	2.21
IP(EA), eV:	-8.64(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-benzyl-2-[(Z)-4-hydroxybut-2-enyl]propanedioate

Drug info:

PubChemData

Smile

COC1=C(C=CC=C1O)CN(C/C=C/COC(=O)OC)CC2=CC=CC=C2

DOS

IR

Vibrations