Geometry & MOs

Info

ID:	201764
PubChem CID:	79578200
Reduced:	SO3C15H20 (1)
Stoich.:	AB3C15D20 (1)
Weight, g/mol:	283.129632
ΔH_f, kcal/mol:	-135.86
Dipole, Da:	5.44
IP(EA), eV:	-9.62(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)CCC2CCCC2=O)C

DOS

IR

Vibrations