Geometry & MOs

Info

ID:	411017
PubChem CID:	135083822
Reduced:	NO2C10H15 (1)
Stoich.:	AB2C10D15 (1)
Weight, g/mol:	165.055656
ΔH_f, kcal/mol:	-19.56
Dipole, Da:	2.12
IP(EA), eV:	-9.3(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-aminobut-2-enoate;hydrochloride

Drug info:

PubChemData

Smile

CC(C(=O)OC)N(CC=C)CC#C

DOS

IR

Vibrations