Geometry & MOs

Info

ID:	223446
PubChem CID:	85335055
Reduced:	O3C23H32 (1)
Stoich.:	A3B23C32 (1)
Weight, g/mol:	356.96123
ΔH_f, kcal/mol:	-33.0
Dipole, Da:	5.71
IP(EA), eV:	-9.29(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(7-bromo-3H-1,3-benzoxazol-2-ylidene)-2-(trifluoromethyl)cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC=C(C)C1C(C2CC3C(O3)(CC2C4C1(O4)C)C)C=CC=C(C)C(=O)C

DOS

IR

Vibrations