Geometry & MOs

Info

ID:	304478
PubChem CID:	124753012
Reduced:	ON4C20H22 (1)
Stoich.:	AB4C20D22 (1)
Weight, g/mol:	293.137556
ΔH_f, kcal/mol:	48.03
Dipole, Da:	7.02
IP(EA), eV:	-8.84(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)CCN2C=NC3=CC=CC=C32)C(=O)C4=CC=CC=N4

DOS

IR

Vibrations