Geometry & MOs

Info

ID:	291299
PubChem CID:	111978544
Reduced:	BrFON4C19H30 (1)
Stoich.:	ABCD4E19F30 (1)
Weight, g/mol:	524.20121
ΔH_f, kcal/mol:	-69.66
Dipole, Da:	4.13
IP(EA), eV:	-8.76(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-(naphthalen-1-ylmethyl)-3-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CC(C)OCCN1CCC(CC1)NC(=NC)NCC2=C(C=C(C=C2)Br)F

DOS

IR

Vibrations