Geometry & MOs

Info

ID:	15957
PubChem CID:	456469
Reduced:	N3O4C16H37 (1)
Stoich.:	A3B4C16D37 (1)
Weight, g/mol:	335.278407
ΔH_f, kcal/mol:	-226.1
Dipole, Da:	4.15
IP(EA), eV:	-9.06(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-aminohexanoic acid;(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol

Drug info:

PubChemData

Smile

CCCCC(C(=O)O)N.CC[C@@H](CO)NCCN[C@@H](CC)CO

DOS

IR

Vibrations