Geometry & MOs

Info

ID:	362117
PubChem CID:	127305799
Reduced:	N4O4C21H26 (1)
Stoich.:	A4B4C21D26 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	-150.67
Dipole, Da:	5.65
IP(EA), eV:	-9.29(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzoxazol-2-yl)-1-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)CN4C(=O)CNC4=O

DOS

IR

Vibrations