Geometry & MOs

Info

ID:	399249
PubChem CID:	135039145
Reduced:	NO6C9H17 (1)
Stoich.:	AB6C9D17 (1)
Weight, g/mol:	235.095486
ΔH_f, kcal/mol:	-275.33
Dipole, Da:	5.42
IP(EA), eV:	-10.07(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-4-(2-deuteriocarbonylphenoxy)but-2-enoate

Drug info:

PubChemData

Smile

CC(=O)NC1[C@H](OC([C@H](C1O)O)CO)OC

DOS

IR

Vibrations