Geometry & MOs

Info

ID:	404115
PubChem CID:	135065081
Reduced:	N2O3H18C20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	240.162649
ΔH_f, kcal/mol:	-36.69
Dipole, Da:	2.76
IP(EA), eV:	-9.34(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-5-methyl-1-phenylpyrazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2=C(C(=NN2)C3=CC=CC=C3)C(=O)C(=O)OC

DOS

IR

Vibrations