Geometry & MOs

Info

ID:	225269
PubChem CID:	85753019
Reduced:	BrH2O2C8F13 (1)
Stoich.:	AB2C2D8E13 (1)
Weight, g/mol:	228.12224
ΔH_f, kcal/mol:	-723.8
Dipole, Da:	4.72
IP(EA), eV:	-11.7(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-[(2-hydroxy-2-prop-2-ynylhydrazinyl)methylideneamino]pentanoic acid

Drug info:

PubChemData

Smile

C(C(=O)O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Br

DOS

IR

Vibrations