Geometry & MOs

Info

ID:	83685
PubChem CID:	49860079
Reduced:	BrNOC15H24 (1)
Stoich.:	ABCD15E24 (1)
Weight, g/mol:	469.93652
ΔH_f, kcal/mol:	-66.76
Dipole, Da:	1.76
IP(EA), eV:	-8.85(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-imidazol-5-yl)propyl N'-[(2-chlorophenyl)methyl]carbamimidothioate;dihydrobromide

Drug info:

PubChemData

Smile

CCCCN1CCC(CC1)C2=CC=C(C=C2)O.Br

DOS

IR

Vibrations