Geometry & MOs

Info

ID:	84853
PubChem CID:	49870333
Reduced:	F2O2N9C22H23 (1)
Stoich.:	A2B2C9D22E23 (1)
Weight, g/mol:	503.28964
ΔH_f, kcal/mol:	-33.61
Dipole, Da:	4.97
IP(EA), eV:	-8.52(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2,5-dimethylimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CNC1=NC=C(C=C1)NC2=NC(=NC(=N2)N3CCOCC3)N4C5=C(C(=CC=C5)OC)N=C4C(F)F

DOS

IR

Vibrations