Geometry & MOs

Info

ID:	17584
PubChem CID:	506328
Reduced:	N3O5C28H31 (1)
Stoich.:	A3B5C28D31 (1)
Weight, g/mol:	489.226371
ΔH_f, kcal/mol:	-153.92
Dipole, Da:	6.0
IP(EA), eV:	-9.33(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2-(4-benzoyl-2-pentylpiperazin-1-yl)-2-oxoacetyl]-1H-indole-7-carboxylate

Drug info:

PubChemData

Smile

CCCCCC1CN(CCN1C(=O)C(=O)C2=CNC3=C2C=CC=C3C(=O)OC)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations