Geometry & MOs

Info

ID:	59821
PubChem CID:	24898455
Reduced:	ClNO7C20H22 (1)
Stoich.:	ABC7D20E22 (1)
Weight, g/mol:	432.173231
ΔH_f, kcal/mol:	-230.45
Dipole, Da:	1.98
IP(EA), eV:	-9.03(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-5-propyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC(=O)CO/N=C/1\CC2=C(C(=CC(=C2Cl)O)O)C(=O)OCC/C=C/CC\C=C1

DOS

IR

Vibrations