Geometry & MOs

Info

ID:	397904
PubChem CID:	135030941
Reduced:	NO2C7H13 (1)
Stoich.:	AB2C7D13 (1)
Weight, g/mol:	198.125594
ΔH_f, kcal/mol:	-83.46
Dipole, Da:	2.78
IP(EA), eV:	-9.28(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4Z,7E)-2-hydroxy-2,7-dimethylnona-4,7-dienoic acid

Drug info:

PubChemData

Smile

C/1CNC[C@@H]([C@@H](/C=C1)O)O

DOS

IR

Vibrations