Geometry & MOs

Info

ID:	180652
PubChem CID:	76664690
Reduced:	O2N7C22H27 (1)
Stoich.:	A2B7C22D27 (1)
Weight, g/mol:	158.105528
ΔH_f, kcal/mol:	21.89
Dipole, Da:	8.38
IP(EA), eV:	-8.42(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-aminoethyl)-4-methylmorpholin-3-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC3=NC=NC(=O)C3C(=N2)NC4=CC=C(C=C4)N5CCOCC5

DOS

IR

Vibrations