Geometry & MOs

Info

ID:	45871
PubChem CID:	10518439
Reduced:	ClNOC18H20 (1)
Stoich.:	ABCD18E20 (1)
Weight, g/mol:	302.070069
ΔH_f, kcal/mol:	-20.3
Dipole, Da:	5.65
IP(EA), eV:	-9.41(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-1-(4,5-dihydro-1,3-thiazol-2-yl)-3,3,3-trifluoroprop-1-en-2-yl]-4-methoxyaniline

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC=CC(=C1)C(C2=CC=CC=C2)Cl

DOS

IR

Vibrations