Geometry & MOs

Info

ID:	290917
PubChem CID:	111639691
Reduced:	ClIN5C21H35 (1)
Stoich.:	ABC5D21E35 (1)
Weight, g/mol:	547.19387
ΔH_f, kcal/mol:	30.2
Dipole, Da:	8.66
IP(EA), eV:	-8.19(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(3-chlorophenyl)cyclopropyl]methyl]-1-ethyl-3-[4-(4-ethylpiperazin-1-yl)butyl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(C)CNC(=NC)NCC2(CC2)C3=CC(=CC=C3)Cl.I

DOS

IR

Vibrations