Geometry & MOs

Info

ID:	351616
PubChem CID:	127280508
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	-90.83
Dipole, Da:	9.47
IP(EA), eV:	-8.93(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzoxazol-2-yl)-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)NC(=O)C4CC4

DOS

IR

Vibrations