Geometry & MOs

Info

ID:	222197
PubChem CID:	85295149
Reduced:	NO2C12H23 (1)
Stoich.:	AB2C12D23 (1)
Weight, g/mol:	214.120509
ΔH_f, kcal/mol:	-79.83
Dipole, Da:	2.7
IP(EA), eV:	-8.99(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-hydroxy-2-(1-hydroxyprop-2-enyl)-2,4-dimethylpent-4-enoate

Drug info:

PubChemData

Smile

CC(CCC=C(C)C)CC(=O)N(C)OC

DOS

IR

Vibrations