Geometry & MOs

Info

ID:	304004
PubChem CID:	124491268
Reduced:	ON2C15H22 (1)
Stoich.:	AB2C15D22 (1)
Weight, g/mol:	173.141579
ΔH_f, kcal/mol:	-45.76
Dipole, Da:	4.31
IP(EA), eV:	-8.85(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-amino-3-ethyl-5-methylhexanoic acid

Drug info:

PubChemData

Smile

C[C@H](CC(=O)NC1=CC=CC=C1)[C@H]2CCCNC2

DOS

IR

Vibrations