Geometry & MOs

Info

ID:	41650
PubChem CID:	8146697
Reduced:	BrN2O2H15C18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	352.202502
ΔH_f, kcal/mol:	-0.87
Dipole, Da:	3.27
IP(EA), eV:	-9.41(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

benzyl-ethyl-[[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]azanium

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(=O)COC2=NC=NC3=C2C=C(C=C3)Br

DOS

IR

Vibrations