Geometry & MOs

Info

ID:	411375
PubChem CID:	135084198
Reduced:	NO2C13H23 (1)
Stoich.:	AB2C13D23 (1)
Weight, g/mol:	244.131074
ΔH_f, kcal/mol:	-71.37
Dipole, Da:	3.56
IP(EA), eV:	-9.12(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[(Z)-7-hydroxyhept-4-enyl]propanedioate

Drug info:

PubChemData

Smile

CCCC1(CO1)C(C)(C)/C=C/C(=O)N(C)C

DOS

IR

Vibrations