Geometry & MOs

Info

ID:	17615
PubChem CID:	507738
Reduced:	O3N4C22H22 (1)
Stoich.:	A3B4C22D22 (1)
Weight, g/mol:	390.169191
ΔH_f, kcal/mol:	-29.76
Dipole, Da:	5.56
IP(EA), eV:	-9.11(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-benzoyl-3-ethylpiperazin-1-yl)-2-(7H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione

Drug info:

PubChemData

Smile

CCC1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CN=C4C3=CC=CN4

DOS

IR

Vibrations