Geometry & MOs

Info

ID:	304457
PubChem CID:	124647493
Reduced:	N2O4C25H28 (1)
Stoich.:	A2B4C25D28 (1)
Weight, g/mol:	317.246713
ΔH_f, kcal/mol:	-138.25
Dipole, Da:	3.86
IP(EA), eV:	-9.35(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-N,3-dimethylbutanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC)NC(=O)[C@@H]1C2=CC=CC=C2C(=O)N(C13CCCCC3)C4=CC=CC=C4

DOS

IR

Vibrations