Geometry & MOs

Info

ID:	380036
PubChem CID:	134964515
Reduced:	PO4C10H15 (1)
Stoich.:	AB4C10D15 (1)
Weight, g/mol:	232.109944
ΔH_f, kcal/mol:	-193.74
Dipole, Da:	5.53
IP(EA), eV:	-10.43(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2Z)-2-(4-methyl-3,4-dihydroisochromen-1-ylidene)acetate

Drug info:

PubChemData

Smile

C=CCOP1(=O)O[C@H](CC(O1)C=C)C=C

DOS

IR

Vibrations