Geometry & MOs

Info

ID:	290918
PubChem CID:	111639745
Reduced:	ClIN5C23H39 (1)
Stoich.:	ABC5D23E39 (1)
Weight, g/mol:	473.08432
ΔH_f, kcal/mol:	25.71
Dipole, Da:	5.91
IP(EA), eV:	-8.14(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=NCC1(CC1)C2=CC(=CC=C2)Cl)NCCCCN3CCN(CC3)CC.I

DOS

IR

Vibrations