Geometry & MOs

Info

ID:	174192
PubChem CID:	75737851
Reduced:	BrO2N3C21H27 (1)
Stoich.:	AB2C3D21E27 (1)
Weight, g/mol:	466.24543
ΔH_f, kcal/mol:	-16.38
Dipole, Da:	3.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752037
Charge, e:	1

Chem-info

IUPAC name:

2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)C(C)OC3=CC=C(C=C3)Br

DOS

IR

Vibrations