Geometry & MOs

Info

ID:	404114
PubChem CID:	135065079
Reduced:	NH8C10 (2)
Stoich.:	AB8C10 (2)
Weight, g/mol:	334.131742
ΔH_f, kcal/mol:	106.16
Dipole, Da:	3.38
IP(EA), eV:	-8.57(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[5-[(4-methylphenyl)methyl]-3-phenyl-1H-pyrazol-4-yl]-2-oxoacetate

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2=CC=CC3=CC=CC=C32)C4=CC=CC=C4

DOS

IR

Vibrations