Geometry & MOs

Info

ID:	407527
PubChem CID:	135080273
Reduced:	NO2H11C13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	246.017307
ΔH_f, kcal/mol:	-26.61
Dipole, Da:	6.64
IP(EA), eV:	-8.39(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenylsulfanyl-1-thiophen-2-ylprop-2-yn-1-ol

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=O)/C(=C\2/C=CC=CN2)/C=C1

DOS

IR

Vibrations