Geometry & MOs

Info

ID:	294931
PubChem CID:	117506098
Reduced:	ClON2C18H27 (1)
Stoich.:	ABC2D18E27 (1)
Weight, g/mol:	321.95647
ΔH_f, kcal/mol:	-46.56
Dipole, Da:	2.23
IP(EA), eV:	-8.56(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-amino-1,2-oxazol-4-yl)-4-bromo-6-(trifluoromethyl)phenol

Drug info:

PubChemData

Smile

COC1=C(C=C2CCCCCC2=C1CCN3CCNCC3)Cl

DOS

IR

Vibrations