Geometry & MOs

Info

ID:	380552
PubChem CID:	134971034
Reduced:	O5C20H28 (1)
Stoich.:	A5B20C28 (1)
Weight, g/mol:	372.204907
ΔH_f, kcal/mol:	-197.69
Dipole, Da:	6.98
IP(EA), eV:	-8.68(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,3R)-3-(cyclohexen-1-ylmethoxy)-1-diazonio-6-[(4-methoxyphenyl)methoxy]hex-1-en-2-olate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COCCC[C@H](C(=O)O)OCC2=CCCCC2

DOS

IR

Vibrations