Geometry & MOs

Info

ID:	390508
PubChem CID:	134999491
Reduced:	ClO5C24H27 (1)
Stoich.:	AB5C24D27 (1)
Weight, g/mol:	306.148061
ΔH_f, kcal/mol:	-197.28
Dipole, Da:	4.3
IP(EA), eV:	-9.54(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-3-(3,5-dimethylpyrazol-1-yl)-3-oxo-1-phenylpropyl]-2-methylpropanedinitrile

Drug info:

PubChemData

Smile

CCCOC(=O)C([C@@H](CC(=O)C1=CC=CC=C1)C2=CC=CC=C2Cl)C(=O)OCCC

DOS

IR

Vibrations