Geometry & MOs

Info

ID:	194279
PubChem CID:	78509385
Reduced:	N2O4C19H32 (1)
Stoich.:	A2B4C19D32 (1)
Weight, g/mol:	368.167083
ΔH_f, kcal/mol:	-162.22
Dipole, Da:	5.29
IP(EA), eV:	-8.71(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

7-[[4-(3-phenylprop-2-enyl)piperazine-1,4-diium-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC[NH+]1CCCC1C[NH2+]CC(COC2=CC=CC(=C2)C(=O)OCC)O

DOS

IR

Vibrations