Geometry & MOs

Info

ID:	351560
PubChem CID:	127280452
Reduced:	NOC5H6 (4)
Stoich.:	ABC5D6 (4)
Weight, g/mol:	373.200156
ΔH_f, kcal/mol:	-129.14
Dipole, Da:	5.73
IP(EA), eV:	-9.43(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)C(=O)CN4CCCC4

DOS

IR

Vibrations