Geometry & MOs

Info

ID:	408464
PubChem CID:	135081230
Reduced:	NO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	269.93257
ΔH_f, kcal/mol:	-2.73
Dipole, Da:	8.11
IP(EA), eV:	-9.76(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-[(Z)-4,4,4-trifluorobut-2-en-2-yl]thiophene

Drug info:

PubChemData

Smile

CC(C)C=C=CCOC1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations