Geometry & MOs

Info

ID:	364802
PubChem CID:	127316143
Reduced:	FON4C21H27 (1)
Stoich.:	ABC4D21E27 (1)
Weight, g/mol:	368.221226
ΔH_f, kcal/mol:	-50.95
Dipole, Da:	3.95
IP(EA), eV:	-9.04(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanone

Drug info:

PubChemData

Smile

C1CCC(CC1)(C2=CC=C(C=C2)F)C(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations