Geometry & MOs

Info

ID:	184939
PubChem CID:	77233138
Reduced:	O3N8H22C24 (1)
Stoich.:	A3B8C22D24 (1)
Weight, g/mol:	504.212118
ΔH_f, kcal/mol:	16.23
Dipole, Da:	7.15
IP(EA), eV:	-8.84(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-methoxy-7-(6-oxopiperazin-2-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=O)C2=CC=CC=N2)C(=O)C(=O)C3=CNC4=C3C=CN=C4C5=CN=C(C=N5)N

DOS

IR

Vibrations