Geometry & MOs

Info

ID:	227145
PubChem CID:	87560340
Reduced:	N3S3O4C16H17 (1)
Stoich.:	A3B3C4D16E17 (1)
Weight, g/mol:	284.077262
ΔH_f, kcal/mol:	-64.57
Dipole, Da:	8.07
IP(EA), eV:	-8.44(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole-4-carbaldehyde

Drug info:

PubChemData

Smile

C1COCCN1C2=S(N=C3C(=C2)C=C(S3)S(=O)(=O)N)C4=CC=CC(=C4)O

DOS

IR

Vibrations