Geometry & MOs

Info

ID:	393877
PubChem CID:	135021895
Reduced:	ClNO7H16C18 (1)
Stoich.:	ABC7D16E18 (1)
Weight, g/mol:	435.131802
ΔH_f, kcal/mol:	-200.6
Dipole, Da:	5.06
IP(EA), eV:	-9.42(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-benzyl-3-(6-methyl-4-oxochromen-3-yl)-3H-1,2-oxazole-4,5-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1Cl)C(=O)C(=CO2)C3C(=C(ON3C)C(=O)OC)C(=O)OC

DOS

IR

Vibrations