Geometry & MOs

Info

ID:	258476
PubChem CID:	103154343
Reduced:	N3O3C11H23 (1)
Stoich.:	A3B3C11D23 (1)
Weight, g/mol:	231.158292
ΔH_f, kcal/mol:	-138.91
Dipole, Da:	3.49
IP(EA), eV:	-9.01(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-N-[2-oxo-2-(propylamino)ethyl]butanamide

Drug info:

PubChemData

Smile

COC(CC(=O)N1CCN(CC1)CCO)CN

DOS

IR

Vibrations