Geometry & MOs

Info

ID:	151852
PubChem CID:	56310670
Reduced:	N3O5C26H35 (1)
Stoich.:	A3B5C26D35 (1)
Weight, g/mol:	482.216535
ΔH_f, kcal/mol:	-169.38
Dipole, Da:	5.45
IP(EA), eV:	-8.32(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C(=O)NCCC2=CC(=C(C=C2)OC)OC)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations