Geometry & MOs

Info

ID:	404119
PubChem CID:	135065085
Reduced:	BrPN2O5C13H14 (1)
Stoich.:	ABC2D5E13F14 (1)
Weight, g/mol:	310.071859
ΔH_f, kcal/mol:	-192.53
Dipole, Da:	4.15
IP(EA), eV:	-9.48(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-dimethoxyphosphoryl-4-phenyl-1H-pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=NNC(=C1C2=CC=C(C=C2)Br)P(=O)(OC)OC

DOS

IR

Vibrations