Geometry & MOs

Info

ID:	40178
PubChem CID:	8143695
Reduced:	SN3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	396.192331
ΔH_f, kcal/mol:	40.38
Dipole, Da:	3.55
IP(EA), eV:	-8.08(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5,5-bis(4-methoxyphenyl)-3-(pyrrolidin-1-ium-1-ylmethyl)imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N(C1=S)CN3CCCC3

DOS

IR

Vibrations