Geometry & MOs

Info

ID:	210409
PubChem CID:	80802988
Reduced:	N7C13H21 (1)
Stoich.:	A7B13C21 (1)
Weight, g/mol:	245.152812
ΔH_f, kcal/mol:	69.06
Dipole, Da:	4.09
IP(EA), eV:	-9.63(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-[2-(furan-2-yl)ethyl]-2-N-propylpyridine-2,6-diamine

Drug info:

PubChemData

Smile

CCCCCC(C)NC1=NC(=NC(=N1)N)N2C=CC=N2

DOS

IR

Vibrations