Geometry & MOs

Info

ID:	393876
PubChem CID:	135021890
Reduced:	OC15H26 (1)
Stoich.:	AB15C26 (1)
Weight, g/mol:	393.06153
ΔH_f, kcal/mol:	-90.7
Dipole, Da:	2.58
IP(EA), eV:	-8.77(1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 3-(6-chloro-7-methyl-4-oxochromen-3-yl)-2-methyl-3H-1,2-oxazole-4,5-dicarboxylate

Drug info:

PubChemData

Smile

CC1=C([C@H]2[C@@](CC1)(CC(C2(C)C)CO)C)C

DOS

IR

Vibrations