Geometry & MOs

Info

ID:	402454
PubChem CID:	135056021
Reduced:	O2C17H24 (1)
Stoich.:	A2B17C24 (1)
Weight, g/mol:	187.108267
ΔH_f, kcal/mol:	-103.24
Dipole, Da:	4.49
IP(EA), eV:	-9.42(0.11)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(Z,3S)-1-ethoxy-1,3-dihydroxy-4-methylpent-1-ene-2-diazonium

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)[C@H]([C@H]2CCCCC2=O)O

DOS

IR

Vibrations