Geometry & MOs

Info

ID:	237192
PubChem CID:	92717818
Reduced:	OC9H12 (1)
Stoich.:	AB9C12 (1)
Weight, g/mol:	480.97165
ΔH_f, kcal/mol:	-41.32
Dipole, Da:	3.99
IP(EA), eV:	-9.43(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(4-chlorophenyl)methyl]-1,2-benzoxazol-6-yl] 5-bromo-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C[C@H]2CC[C@@H]1CC2=O

DOS

IR

Vibrations