Geometry & MOs

Info

ID:	291277
PubChem CID:	111978395
Reduced:	BrFION4C16H23 (1)
Stoich.:	ABCDE4F16G23 (1)
Weight, g/mol:	472.16991
ΔH_f, kcal/mol:	-59.85
Dipole, Da:	8.26
IP(EA), eV:	-9.49(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-tert-butylphenyl)methyl]-1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC1=C(C=C(C=C1)Br)F)NC2CCC(=O)N(C2)C.I

DOS

IR

Vibrations