Geometry & MOs

Info

ID:	291354
PubChem CID:	111978725
Reduced:	ION4C20H31 (1)
Stoich.:	ABC4D20E31 (1)
Weight, g/mol:	440.97129
ΔH_f, kcal/mol:	-11.75
Dipole, Da:	6.14
IP(EA), eV:	-9.21(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC1NC(=NC)NCC(=O)N2CCC(CC2)CC3=CC=CC=C3.I

DOS

IR

Vibrations