Geometry & MOs

Info

ID:	173670
PubChem CID:	75668001
Reduced:	FOSN4C25H34 (1)
Stoich.:	ABCD4E25F34 (1)
Weight, g/mol:	360.203565
ΔH_f, kcal/mol:	-70.17
Dipole, Da:	3.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.836875
Charge, e:	1

Chem-info

IUPAC name:

2-[2-(4-ethylpiperazin-1-ium-1-ylidene)-5-oxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CC2=NC3=C4C5=C(CCCC5)SC4=[N+](C(=O)N3N2)CC6CCCCC6F

DOS

IR

Vibrations