Geometry & MOs

Info

ID:	237194
PubChem CID:	92717843
Reduced:	BrNO5H16C24 (1)
Stoich.:	ABC5D16E24 (1)
Weight, g/mol:	397.027249
ΔH_f, kcal/mol:	-38.55
Dipole, Da:	6.14
IP(EA), eV:	-9.06(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(4-chlorophenyl)methyl]-1,2-benzoxazol-6-yl] 3-chlorobenzoate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CC2=NOC3=C2C=CC(=C3)OC(=O)C4=CC5=C(O4)C=CC(=C5)Br

DOS

IR

Vibrations