Geometry & MOs

Info

ID:	379908
PubChem CID:	134964187
Reduced:	NO3H21C24 (1)
Stoich.:	AB3C21D24 (1)
Weight, g/mol:	238.09938
ΔH_f, kcal/mol:	-44.67
Dipole, Da:	2.35
IP(EA), eV:	-8.81(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1,4-diphenylbut-3-yne-1,2-diol

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)[C@@H]2[C@H](N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations