Geometry & MOs

Info

ID:	152762
PubChem CID:	56311827
Reduced:	FN3O3C22H26 (1)
Stoich.:	AB3C3D22E26 (1)
Weight, g/mol:	482.216535
ΔH_f, kcal/mol:	-134.76
Dipole, Da:	6.37
IP(EA), eV:	-8.67(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-1-oxopropan-2-yl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C(=O)NC2=CC(=CC=C2)F)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations