Geometry & MOs

Info

ID:	351582
PubChem CID:	127280474
Reduced:	O3N5C21H29 (1)
Stoich.:	A3B5C21D29 (1)
Weight, g/mol:	387.215806
ΔH_f, kcal/mol:	-106.61
Dipole, Da:	1.89
IP(EA), eV:	-8.78(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N(C1=O)CC(=O)N3CCN(CC3)C(=O)CN4CCCC4

DOS

IR

Vibrations