Geometry & MOs

Info

ID:	307276
PubChem CID:	125299326
Reduced:	SO2F3N4C20H21 (1)
Stoich.:	AB2C3D4E20F21 (1)
Weight, g/mol:	282.184447
ΔH_f, kcal/mol:	-161.7
Dipole, Da:	5.55
IP(EA), eV:	-9.38(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-tert-butyl-3-[(2,3-dimethylphenyl)methyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCCCN1[C@@H](N=C2C=C(N=C2C1=O)C)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations