Geometry & MOs

Info

ID:	365185
PubChem CID:	127317002
Reduced:	SN7C20H27 (1)
Stoich.:	AB7C20D27 (1)
Weight, g/mol:	374.188881
ΔH_f, kcal/mol:	71.44
Dipole, Da:	8.57
IP(EA), eV:	-8.4(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)CC3=NC(=C4C5=C(CCCC5)SC4=N3)N

DOS

IR

Vibrations