Geometry & MOs

Info

ID:	276910
PubChem CID:	103825698
Reduced:	SN2O3C15H24 (1)
Stoich.:	AB2C3D15E24 (1)
Weight, g/mol:	267.093853
ΔH_f, kcal/mol:	-117.61
Dipole, Da:	5.74
IP(EA), eV:	-9.61(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-4-fluorophenyl)methyl]-1-propan-2-ylpyrazol-4-amine

Drug info:

PubChemData

Smile

CN(C1CCCCC1)S(=O)(=O)N[C@H](CO)C2=CC=CC=C2

DOS

IR

Vibrations