Geometry & MOs

Info

ID:	291270
PubChem CID:	111978352
Reduced:	N6C23H30 (1)
Stoich.:	A6B23C30 (1)
Weight, g/mol:	572.03176
ΔH_f, kcal/mol:	79.49
Dipole, Da:	3.57
IP(EA), eV:	-8.71(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromophenyl)methyl]-1-ethyl-3-[1-(2-methylsulfonylethyl)piperidin-4-yl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC=CC2=CC=CC=C21)NC3CCC4=NC(=NN4C3)C(C)C

DOS

IR

Vibrations