Geometry & MOs

Info

ID:	375661
PubChem CID:	134220720
Reduced:	BrClSN2O3H14C18 (1)
Stoich.:	ABCD2E3F14G18 (1)
Weight, g/mol:	274.191937
ΔH_f, kcal/mol:	-17.0
Dipole, Da:	2.62
IP(EA), eV:	-9.3(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[4-[2-(1,3-dimethylimidazol-1-ium-2-yl)propan-2-yloxymethyl]phenyl]methanamine

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CSC2=C(C(=O)C3=C(C=CC(=C3N2)Br)Cl)C(=O)C4CC4

DOS

IR

Vibrations