Geometry & MOs

Info

ID:	364803
PubChem CID:	127316144
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	338.210661
ΔH_f, kcal/mol:	-47.92
Dipole, Da:	4.38
IP(EA), eV:	-8.64(0.31)
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-1-yl)ethanone

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(CCC2)CC(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations