Geometry & MOs

Info

ID:	138075
PubChem CID:	52308002
Reduced:	N5C21H25 (1)
Stoich.:	A5B21C25 (1)
Weight, g/mol:	330.230728
ΔH_f, kcal/mol:	71.42
Dipole, Da:	2.2
IP(EA), eV:	-8.71(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]pentanamide

Drug info:

PubChemData

Smile

CCCN1C=C(C(=N1)C)C2=NC(=NC=C2)N[C@@H]3CCCC4=CC=CC=C34

DOS

IR

Vibrations