Geometry & MOs

Info

ID:	202326
PubChem CID:	79657719
Reduced:	SN2O2C14H20 (1)
Stoich.:	AB2C2D14E20 (1)
Weight, g/mol:	228.220164
ΔH_f, kcal/mol:	-66.31
Dipole, Da:	3.49
IP(EA), eV:	-8.88(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,2-dimethyl-1-(4-propylmorpholin-2-yl)butan-1-amine

Drug info:

PubChemData

Smile

CCCN1CCOC(C1)C2=NC3=C(S2)C(=O)CCC3

DOS

IR

Vibrations