Geometry & MOs

Info

ID:	404113
PubChem CID:	135065027
Reduced:	N2O3H12C13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	284.131349
ΔH_f, kcal/mol:	-46.88
Dipole, Da:	2.43
IP(EA), eV:	-8.28(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-naphthalen-1-yl-5-phenylpyrazole

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)O[C@H](C2)C(=O)C3=NC=CN3

DOS

IR

Vibrations