Geometry & MOs

Info

ID:	265102
PubChem CID:	103510543
Reduced:	SN3O3C12H13 (1)
Stoich.:	AB3C3D12E13 (1)
Weight, g/mol:	291.083076
ΔH_f, kcal/mol:	-85.38
Dipole, Da:	7.03
IP(EA), eV:	-9.1(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylimidazole-4-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC(=C(S1)NC(=O)C2=CN=CN2C)C(=O)O

DOS

IR

Vibrations