Geometry & MOs

Info

ID:	246521
PubChem CID:	103061098
Reduced:	SN5C12H17 (1)
Stoich.:	AB5C12D17 (1)
Weight, g/mol:	285.278013
ΔH_f, kcal/mol:	88.96
Dipole, Da:	0.9
IP(EA), eV:	-8.79(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-ethyl-N,N-dimethyl-N'-[[4-(propylamino)oxan-3-yl]methyl]propane-1,3-diamine

Drug info:

PubChemData

Smile

CN(CCC1=CC=CS1)CC2=CN=C(C=N2)NN

DOS

IR

Vibrations