Geometry & MOs

Info

ID:	430379
PubChem CID:	135170443
Reduced:	N2O2C13H14 (1)
Stoich.:	A2B2C13D14 (1)
Weight, g/mol:	232.084792
ΔH_f, kcal/mol:	-23.47
Dipole, Da:	3.6
IP(EA), eV:	-8.77(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (5-methyl-2-phenylpyrazol-3-yl) carbonate

Drug info:

PubChemData

Smile

CCC(=O)OC1=CC(=NN1C2=CC=CC=C2)C

DOS

IR

Vibrations