Geometry & MOs

Info

ID:	179613
PubChem CID:	76511429
Reduced:	OH20C33 (1)
Stoich.:	AB20C33 (1)
Weight, g/mol:	379.193614
ΔH_f, kcal/mol:	261.75
Dipole, Da:	1.99
IP(EA), eV:	-8.94(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-amino-5-tert-butylphenyl)-1-[4-(2-phenylethynyl)phenyl]prop-2-yn-1-ol

Drug info:

PubChemData

Smile

C#CC(C1=CC=C(C=C1)C#CC2=CC(=CC(=C2)C#CC3=CC=CC=C3)C#CC4=CC=CC=C4)O

DOS

IR

Vibrations