Geometry & MOs

Info

ID:	291211
PubChem CID:	111978163
Reduced:	BrIF4N4C15H20 (1)
Stoich.:	ABC4D4E15F20 (1)
Weight, g/mol:	410.07292
ΔH_f, kcal/mol:	-172.65
Dipole, Da:	11.23
IP(EA), eV:	-8.4(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-bromo-2-fluorophenyl)methyl]-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine

Drug info:

PubChemData

Smile

CN=C(NCC1=C(C=C(C=C1)Br)F)NC2CCN(C2)CC(F)(F)F.I

DOS

IR

Vibrations