Geometry & MOs

Info

ID:	391884
PubChem CID:	135010575
Reduced:	IN5C17H20 (1)
Stoich.:	AB5C17D20 (1)
Weight, g/mol:	198.050321
ΔH_f, kcal/mol:	129.78
Dipole, Da:	6.08
IP(EA), eV:	-8.84(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-phenylprop-1-ynyl)thiophene

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)CC2=CC(=CN2CC3=CC=CC=C3)I)CN=[N+]=[N-]

DOS

IR

Vibrations