Geometry & MOs

Info

ID:	136002
PubChem CID:	51963981
Reduced:	ON7C18H29 (1)
Stoich.:	AB7C18D29 (1)
Weight, g/mol:	372.131663
ΔH_f, kcal/mol:	34.01
Dipole, Da:	8.24
IP(EA), eV:	-9.09(0.52)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-pyrimidin-2-yl-4-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-ium-1-yl]methyl]-1,3-thiazole

Drug info:

PubChemData

Smile

C1CCC2=NN=C(N2CC1)CN3CCN(CC3)C[C@@H](CN4C=CC=N4)O

DOS

IR

Vibrations