Geometry & MOs

Info

ID:	134537
PubChem CID:	51711801
Reduced:	ON2C24H36 (1)
Stoich.:	AB2C24D36 (1)
Weight, g/mol:	226.10659
ΔH_f, kcal/mol:	-62.3
Dipole, Da:	3.71
IP(EA), eV:	-9.05(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-(2,2-dimethylhydrazinyl)-2-(1H-imidazol-3-ium-3-yl)-4-oxobutanoate

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@H]([C@@H]1C)N[C@@H]2C(=C(C(=O)N2[C@@H](C)CCC3=CC=CC=C3)C)C

DOS

IR

Vibrations