Geometry & MOs

Info

ID:	366681
PubChem CID:	127320210
Reduced:	OSN6C18H22 (1)
Stoich.:	ABC6D18E22 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	31.5
Dipole, Da:	3.5
IP(EA), eV:	-8.7(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC3=C2C(=O)NC(=N3)CN4CCN(CC4)CC5=NC=CN5

DOS

IR

Vibrations