Geometry & MOs

Info

ID:	342088
PubChem CID:	127264801
Reduced:	ON4H16C17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	336.117546
ΔH_f, kcal/mol:	83.01
Dipole, Da:	3.37
IP(EA), eV:	-8.85(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC(=NC=C2)C=CC3=CC=CC=C3OC

DOS

IR

Vibrations