Geometry & MOs

Info

ID:	168874
PubChem CID:	75031861
Reduced:	ClNOH14C16 (1)
Stoich.:	ABCD14E16 (1)
Weight, g/mol:	305.102749
ΔH_f, kcal/mol:	42.9
Dipole, Da:	2.43
IP(EA), eV:	-8.63(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-2-[3-(trifluoromethyl)anilino]but-3-yn-1-ol

Drug info:

PubChemData

Smile

C#CC(CO)(C1=CC=CC=C1)NC2=CC=C(C=C2)Cl

DOS

IR

Vibrations