Geometry & MOs

Info

ID:	225576
PubChem CID:	85856199
Reduced:	O2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	-141.3
Dipole, Da:	2.47
IP(EA), eV:	-9.42(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,5-dimethyl-1-phenyl-3H-pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

C1C(COC(O1)C=CC2=CC=CC=C2)(CO)CO

DOS

IR

Vibrations