Geometry & MOs

Info

ID:	353759
PubChem CID:	127285336
Reduced:	SO2N4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	380.221226
ΔH_f, kcal/mol:	-55.44
Dipole, Da:	1.3
IP(EA), eV:	-8.59(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C2=C(S1)CCC2)C#N)N3CCC(CC3)N4CCCC4=O

DOS

IR

Vibrations