Geometry & MOs

Info

ID:	291337
PubChem CID:	111978680
Reduced:	BrF2N3C16H16 (1)
Stoich.:	AB2C3D16E16 (1)
Weight, g/mol:	494.99308
ΔH_f, kcal/mol:	-26.48
Dipole, Da:	3.04
IP(EA), eV:	-9.13(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-bromo-2-fluorophenyl)methyl]-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations