Geometry & MOs

Info

ID:	173695
PubChem CID:	75670824
Reduced:	O2N3C25H33 (1)
Stoich.:	A2B3C25D33 (1)
Weight, g/mol:	423.250849
ΔH_f, kcal/mol:	-74.68
Dipole, Da:	5.76
IP(EA), eV:	-9.28(0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[2-[4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-yl]-2-oxoethyl]-4-(pyridin-3-ylmethyl)piperazin-2-one

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(C(C)C)NC(=O)CN2CC3=CC=CC=C3CC2C(=O)N

DOS

IR

Vibrations