Geometry & MOs

Info

ID:	244641
PubChem CID:	99376175
Reduced:	O2N3C25H31 (1)
Stoich.:	A2B3C25D31 (1)
Weight, g/mol:	358.225643
ΔH_f, kcal/mol:	-60.26
Dipole, Da:	6.27
IP(EA), eV:	-8.38(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-1-[2-(4-tert-butylphenyl)-2-oxoacetyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)N[C@@H]1CCCN(C1)C(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C43

DOS

IR

Vibrations