Geometry & MOs

Info

ID:	355601
PubChem CID:	127289359
Reduced:	ON7C16H19 (1)
Stoich.:	AB7C16D19 (1)
Weight, g/mol:	384.216141
ΔH_f, kcal/mol:	73.33
Dipole, Da:	7.44
IP(EA), eV:	-9.23(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3=CN4C=NN=C4C=C3

DOS

IR

Vibrations