Geometry & MOs

Info

ID:	227197
PubChem CID:	87560536
Reduced:	SN3O6C19H27 (1)
Stoich.:	AB3C6D19E27 (1)
Weight, g/mol:	355.392649
ΔH_f, kcal/mol:	-212.15
Dipole, Da:	2.11
IP(EA), eV:	-8.95(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-N'-[7-(butylamino)heptyl]heptane-1,7-diamine

Drug info:

PubChemData

Smile

CCCCNCC1=CC(=C(C=C1)OC2=NC=C(C=C2)C(=O)N)OC.CS(=O)(=O)O

DOS

IR

Vibrations