Geometry & MOs

Info

ID:	54157
PubChem CID:	14728810
Reduced:	NO4C25H33 (1)
Stoich.:	AB4C25D33 (1)
Weight, g/mol:	258.194343
ΔH_f, kcal/mol:	-124.45
Dipole, Da:	5.24
IP(EA), eV:	-8.51(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[[(2R)-2-amino-4-methylpentanoyl]amino]hexanoate

Drug info:

PubChemData

Smile

CN(CCC1=CC=CC=C1)CCC23CCCC(C2OC4=C3C=CC=C4OCOC)O

DOS

IR

Vibrations