Geometry & MOs

Info

ID:	403966
PubChem CID:	135063566
Reduced:	PO3C23H31 (1)
Stoich.:	AB3C23D31 (1)
Weight, g/mol:	344.188863
ΔH_f, kcal/mol:	-161.0
Dipole, Da:	3.2
IP(EA), eV:	-9.14(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)O[P@](=O)(C2=CC=CC=C2)C3=CC=CC=C3OC)C(C)C

DOS

IR

Vibrations