Geometry & MOs

Info

ID:	258757
PubChem CID:	103156812
Reduced:	O2N5C8H13 (1)
Stoich.:	A2B5C8D13 (1)
Weight, g/mol:	259.189592
ΔH_f, kcal/mol:	-14.73
Dipole, Da:	5.28
IP(EA), eV:	-9.72(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-methoxybutanamide

Drug info:

PubChemData

Smile

COC(CC(=O)NC1=NC=CN=N1)CN

DOS

IR

Vibrations