Geometry & MOs

Info

ID:	230652
PubChem CID:	87571566
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	276.134816
ΔH_f, kcal/mol:	-53.55
Dipole, Da:	7.25
IP(EA), eV:	-9.93(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(Z,3R)-3-[benzyl(carboxy)amino]-2-hydroxy-4-methylpent-1-ene-1-diazonium

Drug info:

PubChemData

Smile

CC(C)[C@H](/C(=C/[N+]#N)/[O-])N(CC1=CC=CC=C1)C(=O)O

DOS

IR

Vibrations