Geometry & MOs

Info

ID:	208581
PubChem CID:	80549165
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	187.120843
ΔH_f, kcal/mol:	-52.65
Dipole, Da:	3.13
IP(EA), eV:	-9.34(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-4-[2-hydroxyethyl(methyl)amino]but-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/CN(C)CCC1=CC=NC=C1

DOS

IR

Vibrations