Geometry & MOs

Info

ID:	258571
PubChem CID:	103155245
Reduced:	N3O3C12H23 (1)
Stoich.:	A3B3C12D23 (1)
Weight, g/mol:	258.157957
ΔH_f, kcal/mol:	-153.72
Dipole, Da:	4.51
IP(EA), eV:	-9.18(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(4-amino-3-methoxybutanoyl)-cyclopropylamino]acetate

Drug info:

PubChemData

Smile

COC(CC(=O)N1CCC(CC1)CC(=O)N)CN

DOS

IR

Vibrations