Geometry & MOs

Info

ID:	196478
PubChem CID:	78836712
Reduced:	ClN3O3H20C22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	389.173942
ΔH_f, kcal/mol:	-45.88
Dipole, Da:	5.87
IP(EA), eV:	-9.22(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-hydroxyphenyl)-[1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)C2=CC=C(C=C2)O)C(=O)C3=CC(=NN3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations