Geometry & MOs

Info

ID:	225062
PubChem CID:	85735902
Reduced:	ON2H18C21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	206.037706
ΔH_f, kcal/mol:	54.42
Dipole, Da:	2.66
IP(EA), eV:	-8.04(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethylsulfanyl-2-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2NC1=CN=C3C(=O)C=CC4=CC=CC=C43)C

DOS

IR

Vibrations