Geometry & MOs

Info

ID:	234302
PubChem CID:	92298135
Reduced:	ClNO2C6H6 (2)
Stoich.:	ABC2D6E6 (2)
Weight, g/mol:	297.108897
ΔH_f, kcal/mol:	-111.55
Dipole, Da:	1.9
IP(EA), eV:	-10.04(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,5R)-2,5-bis(1H-pyrrol-2-yl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone

Drug info:

PubChemData

Smile

COC(=O)[C@@H](/C=N/OC)NC(=O)C1=C(C=C(C=C1)Cl)Cl

DOS

IR

Vibrations