Geometry & MOs

Info

ID:	287706
PubChem CID:	104252453
Reduced:	ClON3C16H28 (1)
Stoich.:	ABC3D16E28 (1)
Weight, g/mol:	209.177964
ΔH_f, kcal/mol:	-58.64
Dipole, Da:	3.24
IP(EA), eV:	-8.82(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxan-2-yl)-N-propylpent-4-yn-2-amine

Drug info:

PubChemData

Smile

CCCNC(CC1CCCCO1)CC2=C(C(=NN2C)C)Cl

DOS

IR

Vibrations