Geometry & MOs

Info

ID:	224324
PubChem CID:	85341632
Reduced:	NOC10H13 (2)
Stoich.:	ABC10D13 (2)
Weight, g/mol:	326.15518
ΔH_f, kcal/mol:	-65.49
Dipole, Da:	5.52
IP(EA), eV:	-8.27(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hydroxy-6-methylnon-7-enyl) 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C1CCC(C(C1)CO)NC(=O)C2=CN(C=CC2)CC3=CC=CC=C3

DOS

IR

Vibrations