Geometry & MOs

Info

ID:	258583
PubChem CID:	103155412
Reduced:	N3O4C12H23 (1)
Stoich.:	A3B4C12D23 (1)
Weight, g/mol:	246.157957
ΔH_f, kcal/mol:	-179.69
Dipole, Da:	2.63
IP(EA), eV:	-9.12(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-amino-3-methoxybutanoyl)-butan-2-ylamino]acetic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations