Geometry & MOs

Info

ID:	165118
PubChem CID:	74502353
Reduced:	O2N3C21H24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	143.118438
ΔH_f, kcal/mol:	-2.81
Dipole, Da:	2.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.779979
Charge, e:	1

Chem-info

IUPAC name:

3-propan-2-ylpiperazin-4-ium-2-one

Drug info:

PubChemData

Smile

CC1C[NH+](CC(O1)C)C2C(=NC3=CC=CC=C3NC2=O)C4=CC=CC=C4

DOS

IR

Vibrations