Geometry & MOs

Info

ID:	378237
PubChem CID:	134224313
Reduced:	ClNOC21H22 (1)
Stoich.:	ABCD21E22 (1)
Weight, g/mol:	312.052877
ΔH_f, kcal/mol:	10.03
Dipole, Da:	2.8
IP(EA), eV:	-9.6(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-2-[1-(2-methylphenyl)ethenoxy]-3-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

CC1CCC1CC2=C(C(=CC=C2)Cl)C(=O)C(=C)C3=C(N=CC=C3)C

DOS

IR

Vibrations