Geometry & MOs

Info

ID:	153821
PubChem CID:	56313136
Reduced:	ClFO2N3H21C22 (1)
Stoich.:	ABC2D3E21F22 (1)
Weight, g/mol:	374.220557
ΔH_f, kcal/mol:	-22.21
Dipole, Da:	4.43
IP(EA), eV:	-8.92(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dimethoxyphenyl)-N-(1,4-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=NOC(=C2)C3=CC(=CC=C3)Cl)CC4=CC=CC=C4F

DOS

IR

Vibrations