Geometry & MOs

Info

ID:	58543
PubChem CID:	24702275
Reduced:	ClO2N3C13H16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	258.082684
ΔH_f, kcal/mol:	-35.84
Dipole, Da:	4.39
IP(EA), eV:	-8.88(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-phenylethoxy)pyridine-4-carbothioamide

Drug info:

PubChemData

Smile

C1CN(CCC1=NO)CC(=O)NC2=CC=C(C=C2)Cl

DOS

IR

Vibrations