Geometry & MOs

Info

ID:	230926
PubChem CID:	87572260
Reduced:	SCl2N4O5C27H46 (1)
Stoich.:	AB2C4D5E27F46 (1)
Weight, g/mol:	360.06753
ΔH_f, kcal/mol:	-298.79
Dipole, Da:	10.26
IP(EA), eV:	-8.55(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[[1-(methylamino)cyclopropyl]methyl]-5-pyridin-4-ylpyridin-3-amine;dihydrochloride

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1S(=O)(=O)N2CCCC2COCC(=O)N3CCN(CC3)C4CCN(CC4)C)C)C)OC.Cl.Cl

DOS

IR

Vibrations