Geometry & MOs

Info

ID:	147842
PubChem CID:	53787500
Reduced:	NO3C10H13 (1)
Stoich.:	AB3C10D13 (1)
Weight, g/mol:	216.076199
ΔH_f, kcal/mol:	-83.28
Dipole, Da:	4.63
IP(EA), eV:	-9.42(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,4,4-trifluoro-3-methoxybut-1-enyl)benzene

Drug info:

PubChemData

Smile

CCCONC1=CC=CC=C1C(=O)O

DOS

IR

Vibrations