Geometry & MOs

Info

ID:	140856
PubChem CID:	52771256
Reduced:	ClO2N6C22H26 (1)
Stoich.:	AB2C6D22E26 (1)
Weight, g/mol:	240.183778
ΔH_f, kcal/mol:	38.96
Dipole, Da:	12.24
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.003638
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-N-[(2S)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]propanamide

Drug info:

PubChemData

Smile

C[NH+]1CCN(CC1)C2=C(C=CC=N2)CNC(=O)CCC3=NC(=NO3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations