Geometry & MOs

Info

ID:	297002
PubChem CID:	117605500
Reduced:	O6C19H20 (1)
Stoich.:	A6B19C20 (1)
Weight, g/mol:	378.205576
ΔH_f, kcal/mol:	-217.09
Dipole, Da:	4.54
IP(EA), eV:	-8.69(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1-propan-2-ylindole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC(=O)CC(=O)CC(C1=CC(=C(C=C1)O)O)C2=CC(=C(C=C2)O)O

DOS

IR

Vibrations