Geometry & MOs

Info

ID:	41101
PubChem CID:	8145241
Reduced:	O2N7C21H23 (1)
Stoich.:	A2B7C21D23 (1)
Weight, g/mol:	403.270916
ΔH_f, kcal/mol:	55.71
Dipole, Da:	8.02
IP(EA), eV:	-8.95(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(5R)-3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N3CCOCC3)NNC=C4C=CC(=O)C=C4

DOS

IR

Vibrations