Geometry & MOs

Info

ID:	258650
PubChem CID:	103155963
Reduced:	N2O3C11H16 (1)
Stoich.:	A2B3C11D16 (1)
Weight, g/mol:	288.204907
ΔH_f, kcal/mol:	-111.37
Dipole, Da:	3.69
IP(EA), eV:	-8.69(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(4-amino-3-methoxybutanoyl)amino]ethyl]-5-methylhexanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)NC1=CC=CC=C1O)CN

DOS

IR

Vibrations