Geometry & MOs

Info

ID:	398853
PubChem CID:	135035768
Reduced:	NO3H13C17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	406.97688
ΔH_f, kcal/mol:	16.14
Dipole, Da:	7.2
IP(EA), eV:	-9.64(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-bromo-5-[4-(trifluoromethyl)phenyl]furan-2-yl]-1,3-benzoxazole

Drug info:

PubChemData

Smile

C1CC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C(=C1)C3=CC=CC=C3

DOS

IR

Vibrations