Geometry & MOs

Info

ID:	138968
PubChem CID:	52451344
Reduced:	SO4N7H19C20 (1)
Stoich.:	AB4C7D19E20 (1)
Weight, g/mol:	331.153206
ΔH_f, kcal/mol:	-49.87
Dipole, Da:	12.26
IP(EA), eV:	-9.09(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dimethoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)C1=C(N(C(=O)N(C1=O)C)C)N)SC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

DOS

IR

Vibrations