Geometry & MOs

Info

ID:	261853
PubChem CID:	103255432
Reduced:	NO2F3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	214.131742
ΔH_f, kcal/mol:	-224.32
Dipole, Da:	4.04
IP(EA), eV:	-8.76(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[(4-methylmorpholin-2-yl)methylamino]but-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(F)(F)F)NC/C=C(\C)/C(=O)OC

DOS

IR

Vibrations