Geometry & MOs

Info

ID:	28388
PubChem CID:	827345
Reduced:	NOSF3C15H20 (1)
Stoich.:	ABCD3E15F20 (1)
Weight, g/mol:	245.080041
ΔH_f, kcal/mol:	-196.34
Dipole, Da:	1.96
IP(EA), eV:	-8.84(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dimethylpyrazol-1-yl)-(4-nitrophenyl)methanone

Drug info:

PubChemData

Smile

CN(C)C[C@@H]1CSCC[C@]1(C2=CC=C(C=C2)C(F)(F)F)O

DOS

IR

Vibrations