Geometry & MOs

Info

ID:	347496
PubChem CID:	127272351
Reduced:	O3N6C20H22 (1)
Stoich.:	A3B6C20D22 (1)
Weight, g/mol:	382.164105
ΔH_f, kcal/mol:	-41.86
Dipole, Da:	3.72
IP(EA), eV:	-9.41(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one

Drug info:

PubChemData

Smile

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)N3CCN(CC3)C(=O)C4=CNC(=O)C=C4

DOS

IR

Vibrations