Geometry & MOs

Info

ID:	25487
PubChem CID:	625687
Reduced:	ClN5C14H16 (1)
Stoich.:	AB5C14D16 (1)
Weight, g/mol:	307.082013
ΔH_f, kcal/mol:	48.4
Dipole, Da:	1.85
IP(EA), eV:	-8.73(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-amino-4-(trifluoromethyl)phenyl]-3-phenylprop-2-enoic acid

Drug info:

PubChemData

Smile

C1CN(CC2=C1N=C(N=C2N)N)CC3=CC(=CC=C3)Cl

DOS

IR

Vibrations