Geometry & MOs

Info

ID:	157448
PubChem CID:	56427220
Reduced:	N5O5C21H29 (1)
Stoich.:	A5B5C21D29 (1)
Weight, g/mol:	359.184506
ΔH_f, kcal/mol:	-130.52
Dipole, Da:	6.8
IP(EA), eV:	-9.12(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]piperidin-3-yl]propanamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCCC(C3)CCC(=O)N)[N+](=O)[O-]

DOS

IR

Vibrations