Geometry & MOs

Info

ID:	264101
PubChem CID:	103428359
Reduced:	ClNH5C8 (2)
Stoich.:	ABC5D8 (2)
Weight, g/mol:	281.978525
ΔH_f, kcal/mol:	79.13
Dipole, Da:	5.96
IP(EA), eV:	-8.86(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4,6-dichloroindol-1-yl)methyl]-1,3-thiazole

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C#N)CN2C=CC3=C2C=C(C=C3Cl)Cl

DOS

IR

Vibrations