Geometry & MOs

Info

ID:	351499
PubChem CID:	127280387
Reduced:	O3N4C21H30 (1)
Stoich.:	A3B4C21D30 (1)
Weight, g/mol:	367.247107
ΔH_f, kcal/mol:	-102.63
Dipole, Da:	7.24
IP(EA), eV:	-8.63(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(oxan-2-ylmethoxy)-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=C(C=C3)N4CCOCC4

DOS

IR

Vibrations