Geometry & MOs

Info

ID:	291315
PubChem CID:	111978592
Reduced:	N4H22C23 (1)
Stoich.:	A4B22C23 (1)
Weight, g/mol:	438.95564
ΔH_f, kcal/mol:	109.17
Dipole, Da:	4.42
IP(EA), eV:	-8.98(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-2-fluorophenyl)methyl]-1-ethyl-3-prop-2-ynylguanidine;hydroiodide

Drug info:

PubChemData

Smile

CN=C(NCC1=CC=CC2=CC=CC=C21)NCC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations