Geometry & MOs

Info

ID:	356023
PubChem CID:	127291052
Reduced:	O3N4C15H24 (1)
Stoich.:	A3B4C15D24 (1)
Weight, g/mol:	324.216141
ΔH_f, kcal/mol:	-92.83
Dipole, Da:	1.74
IP(EA), eV:	-8.92(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxan-3-yl)-4-(2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CC2CCCN(C2)C(=O)NC3CCCOC3

DOS

IR

Vibrations