Geometry & MOs

Info

ID:	312547
PubChem CID:	126606415
Reduced:	O5C38H54 (1)
Stoich.:	A5B38C54 (1)
Weight, g/mol:	364.131074
ΔH_f, kcal/mol:	-270.81
Dipole, Da:	6.61
IP(EA), eV:	-8.9(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-3-(2,4,6-trimethylphenyl)chromen-7-yl]oxymethyl prop-2-enoate

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)C(C)C)C2=CC3=C(C=C(C=C3)OC(C)(C)CC(C)(C)OC(=O)C(CC(C)(C)C)C(C)(C)C)OC2=O

DOS

IR

Vibrations