Geometry & MOs

Info

ID:	433307
PubChem CID:	135173444
Reduced:	SO3N5C33H37 (1)
Stoich.:	AB3C5D33E37 (1)
Weight, g/mol:	425.173942
ΔH_f, kcal/mol:	-14.09
Dipole, Da:	2.84
IP(EA), eV:	-8.13(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[4-(3-hydroxypropoxy)phenyl]-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

CN(C)C1=CC(=CC=C1)N(C)C(=O)N(C)C2=CC=CC(=C2)NSC3=C(C=CC(=C3)C4=CC(=CC=C4)C(=O)N(C)C)OC

DOS

IR

Vibrations