Geometry & MOs

Info

ID:	258586
PubChem CID:	103155476
Reduced:	N2O5C9H18 (1)
Stoich.:	A2B5C9D18 (1)
Weight, g/mol:	245.173942
ΔH_f, kcal/mol:	-235.83
Dipole, Da:	4.76
IP(EA), eV:	-9.88(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(CC(=O)NC(CCO)C(=O)O)CN

DOS

IR

Vibrations