Geometry & MOs

Info

ID:	403565
PubChem CID:	135060842
Reduced:	ClS2H15C19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	290.178299
ΔH_f, kcal/mol:	71.07
Dipole, Da:	0.96
IP(EA), eV:	-8.67(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclohexylmethyl)-2-(2-phenylethynyl)pyridin-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SC(C2=CC=CC=C2Cl)SC3=CC=CC=C3

DOS

IR

Vibrations