Geometry & MOs

Info

ID:	138595
PubChem CID:	52390763
Reduced:	OS2N3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	377.197751
ΔH_f, kcal/mol:	30.4
Dipole, Da:	4.47
IP(EA), eV:	-9.12(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[4-[[3-(4-methoxyphenyl)-1H-imidazol-3-ium-2-yl]methyl]piperazin-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CC1=NN=C(S1)SCC(=O)N(C)C[C@@]2(CC2(C)C)C3=CC=CC=C3

DOS

IR

Vibrations