Geometry & MOs

Info

ID:	177421
PubChem CID:	76183790
Reduced:	O3C14H26 (1)
Stoich.:	A3B14C26 (1)
Weight, g/mol:	345.110315
ΔH_f, kcal/mol:	-180.92
Dipole, Da:	1.53
IP(EA), eV:	-10.17(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(3,4-dimethylphenyl)methyl 3-hydroxybut-2-enoate;dimethyl phosphate

Drug info:

PubChemData

Smile

CCCCCCCCCCOC(=O)C=C(C)O

DOS

IR

Vibrations