Geometry & MOs

Info

ID:	290928
PubChem CID:	111640326
Reduced:	ClN5C21H34 (1)
Stoich.:	AB5C21D34 (1)
Weight, g/mol:	514.09964
ΔH_f, kcal/mol:	33.55
Dipole, Da:	3.67
IP(EA), eV:	-8.22(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=NCC1(CC1)C2=CC(=CC=C2)Cl)NCCN3CCN(CC3)CC

DOS

IR

Vibrations