Geometry & MOs

Info

ID:	123475
PubChem CID:	50849377
Reduced:	ClON4C16H19 (1)
Stoich.:	ABC4D16E19 (1)
Weight, g/mol:	412.92211
ΔH_f, kcal/mol:	15.33
Dipole, Da:	3.64
IP(EA), eV:	-9.26(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-bromo-3,5-dichlorophenyl)-1,3-benzoxazole-5-carboxylate

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=NN(N=C2C)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations