Geometry & MOs

Info

ID:	418663
PubChem CID:	135106514
Reduced:	SO6N7C29H37 (1)
Stoich.:	AB6C7D29E37 (1)
Weight, g/mol:	313.19026
ΔH_f, kcal/mol:	-164.01
Dipole, Da:	9.57
IP(EA), eV:	-8.93(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-imidazol-1-yl-1-[4-(3-methylpyridin-4-yl)piperazin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)C(=O)CSC3=NNC(=N3)C4=CC=CO4

DOS

IR

Vibrations