Geometry & MOs

Info

ID:	291276
PubChem CID:	111978393
Reduced:	ION4C20H27 (1)
Stoich.:	ABC4D20E27 (1)
Weight, g/mol:	512.0084
ΔH_f, kcal/mol:	-1.86
Dipole, Da:	1.3
IP(EA), eV:	-8.95(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-2-fluorophenyl)methyl]-1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC=CC2=CC=CC=C21)NC3CCC(=O)N(C3)C.I

DOS

IR

Vibrations