Geometry & MOs

Info

ID:	214254
PubChem CID:	84974792
Reduced:	N3O4C17H17 (1)
Stoich.:	A3B4C17D17 (1)
Weight, g/mol:	418.189257
ΔH_f, kcal/mol:	-69.87
Dipole, Da:	5.15
IP(EA), eV:	-9.54(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 3-(1,3-benzoxazol-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CCC#N)OC(=O)C=CC1=NC2=CC=CC=C2O1

DOS

IR

Vibrations