Geometry & MOs

Info

ID:	444329
PubChem CID:	135262088
Reduced:	O4N5C21H27 (1)
Stoich.:	A4B5C21D27 (1)
Weight, g/mol:	412.222289
ΔH_f, kcal/mol:	-86.98
Dipole, Da:	3.09
IP(EA), eV:	-8.63(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-1,5-dimethylpyrazol-4-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)N2CCN(CC2)CC3COC4=CC=CC=C4O3)N5CCOC5=O

DOS

IR

Vibrations