Geometry & MOs

Info

ID:	375953
PubChem CID:	134221950
Reduced:	ClNOF3C24H25 (1)
Stoich.:	ABCD3E24F25 (1)
Weight, g/mol:	216.076199
ΔH_f, kcal/mol:	-173.13
Dipole, Da:	2.73
IP(EA), eV:	-9.26(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-prop-2-enoxy-1-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)C)C(/C=C/C2=CC(=C(C=C2)CNC(=O)C3CC3)Cl)C(F)(F)F

DOS

IR

Vibrations