Geometry & MOs

Info

ID:	411246
PubChem CID:	135084059
Reduced:	NOC14H15 (1)
Stoich.:	ABC14D15 (1)
Weight, g/mol:	242.115424
ΔH_f, kcal/mol:	17.78
Dipole, Da:	4.88
IP(EA), eV:	-8.99(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-(4-hydroxybut-2-enyl)-2-prop-2-enylpropanedioate

Drug info:

PubChemData

Smile

CC1(CC(=O)N1C(=C)C2=CC=CC=C2)C=C

DOS

IR

Vibrations