Geometry & MOs

Info

ID:	291338
PubChem CID:	111978683
Reduced:	BrFIN5C15H20 (1)
Stoich.:	ABCD5E15F20 (1)
Weight, g/mol:	381.09644
ΔH_f, kcal/mol:	34.19
Dipole, Da:	1.82
IP(EA), eV:	-9.25(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN=C(NCCCN1C=CC=N1)NCC2=C(C=C(C=C2)Br)F.I

DOS

IR

Vibrations