Geometry & MOs

Info

ID:	39861
PubChem CID:	8142588
Reduced:	ClNC6H6 (2)
Stoich.:	ABC6D6 (2)
Weight, g/mol:	366.164009
ΔH_f, kcal/mol:	19.48
Dipole, Da:	4.15
IP(EA), eV:	-8.91(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl-methyl-[(4-methylphenyl)methyl]azanium

Drug info:

PubChemData

Smile

C1=CC2=C(C=CN=C2C=C1Cl)NCCCCl

DOS

IR

Vibrations