Geometry & MOs

Info

ID:	291335
PubChem CID:	111978676
Reduced:	BrOF2N4C19H21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	542.13541
ΔH_f, kcal/mol:	-70.66
Dipole, Da:	6.45
IP(EA), eV:	-9.25(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-[(2,5-difluorophenyl)methyl]-2-methylguanidine;hydroiodide

Drug info:

PubChemData

Smile

CN(C)C(=O)CNC(=NCC1=CC=C(C=C1)Br)NCC2=C(C=CC(=C2)F)F

DOS

IR

Vibrations