Geometry & MOs

Info

ID:	312548
PubChem CID:	126606432
Reduced:	O5H20C22 (1)
Stoich.:	A5B20C22 (1)
Weight, g/mol:	448.224974
ΔH_f, kcal/mol:	-150.76
Dipole, Da:	5.85
IP(EA), eV:	-8.96(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-octan-3-ylphenyl)-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C2=CC3=C(C=C(C=C3)OCOC(=O)C=C)OC2=O)C

DOS

IR

Vibrations