Geometry & MOs

Info

ID:	290905
PubChem CID:	111635963
Reduced:	BrN2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	490.07219
ΔH_f, kcal/mol:	-92.89
Dipole, Da:	4.37
IP(EA), eV:	-9.06(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

C1CCC(C(C1)CO)NC(=O)NC2=CC=CC=C2Br

DOS

IR

Vibrations