Geometry & MOs

Info

ID:	440332
PubChem CID:	135230279
Reduced:	ON2H10C15 (1)
Stoich.:	AB2C10D15 (1)
Weight, g/mol:	469.200156
ΔH_f, kcal/mol:	67.44
Dipole, Da:	4.21
IP(EA), eV:	-8.82(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[4-methyl-5-(phenoxycarbonylamino)-1-phenylpyrazol-3-yl]benzoate

Drug info:

PubChemData

Smile

C1=CC(=C2C=COC2=C1)C3=CC=CN4C3=NC=C4

DOS

IR

Vibrations