Geometry & MOs

Info

ID:	233429
PubChem CID:	90271506
Reduced:	ON4F5H11C19 (1)
Stoich.:	AB4C5D11E19 (1)
Weight, g/mol:	216.07212
ΔH_f, kcal/mol:	-164.99
Dipole, Da:	4.49
IP(EA), eV:	-9.19(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-phenylthiophen-3-yl)ethanimidamide

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C(=O)NC2=C(C=CC=C2F)F)C3=C(C=CC(=C3)C(F)(F)F)C#N

DOS

IR

Vibrations