Geometry & MOs

Info

ID:	372540
PubChem CID:	131299481
Reduced:	INOC8H10 (1)
Stoich.:	ABCD8E10 (1)
Weight, g/mol:	240.032891
ΔH_f, kcal/mol:	-17.46
Dipole, Da:	1.45
IP(EA), eV:	-8.28(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(chloromethyl)-3-ethyl-1-fluoro-4-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1O)I)N

DOS

IR

Vibrations