Geometry & MOs

Info

ID:	303995
PubChem CID:	124491189
Reduced:	ON2C12H18 (1)
Stoich.:	AB2C12D18 (1)
Weight, g/mol:	172.157563
ΔH_f, kcal/mol:	-43.47
Dipole, Da:	4.5
IP(EA), eV:	-8.74(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-amino-N,3,5-trimethylhexanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations