Geometry & MOs

Info

ID:	32970
PubChem CID:	7849825
Reduced:	NO4C20H21 (1)
Stoich.:	AB4C20D21 (1)
Weight, g/mol:	348.136159
ΔH_f, kcal/mol:	-117.67
Dipole, Da:	7.02
IP(EA), eV:	-8.58(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6,7-dimethyl-2-oxochromen-4-yl)methyl (E)-3-(2-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C/C(=O)O[C@@H](C)C(=O)NC2=CC=CC=C2OC

DOS

IR

Vibrations