Geometry & MOs

Info

ID:	291214
PubChem CID:	111978167
Reduced:	BrFIN4C20H25 (1)
Stoich.:	ABCD4E20F25 (1)
Weight, g/mol:	436.10742
ΔH_f, kcal/mol:	12.41
Dipole, Da:	3.89
IP(EA), eV:	-8.5(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-bromo-2-fluorophenyl)methyl]-3-[1-(3-fluorophenyl)piperidin-4-yl]-2-methylguanidine

Drug info:

PubChemData

Smile

CN=C(NCC1=CC=C(C=C1)Br)NC2CCN(CC2)C3=CC(=CC=C3)F.I

DOS

IR

Vibrations