Geometry & MOs

Info

ID:	291216
PubChem CID:	111978172
Reduced:	BrON4C15H21 (1)
Stoich.:	ABC4D15E21 (1)
Weight, g/mol:	452.10731
ΔH_f, kcal/mol:	-12.05
Dipole, Da:	4.95
IP(EA), eV:	-9.24(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-(naphthalen-1-ylmethyl)-3-(6-oxopiperidin-3-yl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC=C(C=C1)Br)NC2CCC(=O)NC2

DOS

IR

Vibrations