Geometry & MOs

Info

ID:	186085
PubChem CID:	77389624
Reduced:	O3C8H8 (2)
Stoich.:	A3B8C8 (2)
Weight, g/mol:	318.110338
ΔH_f, kcal/mol:	-200.57
Dipole, Da:	3.03
IP(EA), eV:	-9.4(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-O-ethyl 1-O-[4-(3-methoxy-3-oxoprop-1-enyl)phenyl] 2-methylidenebutanedioate

Drug info:

PubChemData

Smile

COC(=O)CC(=C)C(=O)OC1=CC=C(C=C1)C=CC(=O)OC

DOS

IR

Vibrations