Geometry & MOs

Info

ID:	142847
PubChem CID:	53100080
Reduced:	SO3N5C20H21 (1)
Stoich.:	AB3C5D20E21 (1)
Weight, g/mol:	359.138225
ΔH_f, kcal/mol:	-30.38
Dipole, Da:	1.19
IP(EA), eV:	-8.53(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-N-(4-methylphenyl)-7-oxo-1-phenylpyrazolo[4,3-d]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)NCC2=NN=C(S2)C(=O)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations