Geometry & MOs

Info

ID:	51636
PubChem CID:	12014339
Reduced:	FOPH24C35 (1)
Stoich.:	ABCD24E35 (1)
Weight, g/mol:	353.105193
ΔH_f, kcal/mol:	25.17
Dipole, Da:	4.69
IP(EA), eV:	-8.71(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(4-nitrophenyl)ethynyl]phenyl]-3-phenylprop-2-yn-1-ol

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C3=C(C4=CC=CC=C4C(=C31)P(=O)(C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=C(C=C7)F

DOS

IR

Vibrations