Geometry & MOs

Info

ID:	364804
PubChem CID:	127316145
Reduced:	ON4C20H26 (1)
Stoich.:	AB4C20D26 (1)
Weight, g/mol:	338.210661
ΔH_f, kcal/mol:	-5.22
Dipole, Da:	3.21
IP(EA), eV:	-9.0(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C2=CC=CC=C2C1)CC(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations