Geometry & MOs

Info

ID:	246465
PubChem CID:	103059741
Reduced:	SN6C13H18 (1)
Stoich.:	AB6C13D18 (1)
Weight, g/mol:	278.199428
ΔH_f, kcal/mol:	79.22
Dipole, Da:	7.42
IP(EA), eV:	-8.64(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-N-ethyloxan-4-amine

Drug info:

PubChemData

Smile

CNC1=NC=C(N=C1)CSC2=NN=C3N2CCCCC3

DOS

IR

Vibrations