Geometry & MOs

Info

ID:	148079
PubChem CID:	53787741
Reduced:	BrO2C18H23 (1)
Stoich.:	AB2C18D23 (1)
Weight, g/mol:	261.063722
ΔH_f, kcal/mol:	-85.84
Dipole, Da:	4.41
IP(EA), eV:	-9.35(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

CC=CC(=O)OC1CCC(CC1)CCC2=CC=C(C=C2)Br

DOS

IR

Vibrations