Geometry & MOs

Info

ID:	44038
PubChem CID:	10500593
Reduced:	O6H18C23 (1)
Stoich.:	A6B18C23 (1)
Weight, g/mol:	390.167853
ΔH_f, kcal/mol:	-162.16
Dipole, Da:	3.41
IP(EA), eV:	-8.71(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[(E)-6-ethoxycarbonyloxy-2-methylidene-6-phenylhex-4-enyl]propanedioate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)C2C3=C(C(=CC=C3)O)C(=O)C4=C2C=CC=C4O)OC

DOS

IR

Vibrations