Geometry & MOs

Info

ID:	238843
PubChem CID:	93165593
Reduced:	N2O3C17H32 (1)
Stoich.:	A2B3C17D32 (1)
Weight, g/mol:	312.241293
ΔH_f, kcal/mol:	-183.84
Dipole, Da:	4.25
IP(EA), eV:	-8.73(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoylamino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CC[C@@H]1CCCCN1CCCC(=O)N[C@@H]([C@@H](C)CC)C(=O)O

DOS

IR

Vibrations