Geometry & MOs

Info

ID:	131781
PubChem CID:	51260695
Reduced:	SN4H18C20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	390.172562
ΔH_f, kcal/mol:	138.07
Dipole, Da:	2.18
IP(EA), eV:	-8.62(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN(C=C2CNCC3=CSC=N3)C4=CC=CC=C4

DOS

IR

Vibrations