Geometry & MOs

Info

ID:	403748
PubChem CID:	135061651
Reduced:	ClON2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	325.044046
ΔH_f, kcal/mol:	-13.62
Dipole, Da:	1.05
IP(EA), eV:	-9.16(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole

Drug info:

PubChemData

Smile

CCCCN1C=C(C2=C1N=C(C=C2C)Cl)C=O

DOS

IR

Vibrations