Geometry & MOs

Info

ID:	20509
PubChem CID:	584359
Reduced:	O2H6C7 (2)
Stoich.:	A2B6C7 (2)
Weight, g/mol:	244.073559
ΔH_f, kcal/mol:	-102.06
Dipole, Da:	4.41
IP(EA), eV:	-9.36(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-(2-oxochromen-7-yl)oxybut-2-enal

Drug info:

PubChemData

Smile

CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C=O

DOS

IR

Vibrations