Geometry & MOs

Info

ID:	404309
PubChem CID:	135065783
Reduced:	OSN2H14C16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	318.173213
ΔH_f, kcal/mol:	53.77
Dipole, Da:	5.53
IP(EA), eV:	-8.37(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-5-methyl-4-(2-methylprop-2-enyl)-3-phenylpyrazole

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC(=NN2)SC3=CC=CC=C3

DOS

IR

Vibrations