Geometry & MOs

Info

ID:	178957
PubChem CID:	76407423
Reduced:	O2N5C20H21 (1)
Stoich.:	A2B5C20D21 (1)
Weight, g/mol:	347.166748
ΔH_f, kcal/mol:	51.43
Dipole, Da:	7.98
IP(EA), eV:	-8.18(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-hydroxy-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=NN1)C2=CC(=C3C=CC(=O)C(=C3)OC)N=C(C2C#N)N

DOS

IR

Vibrations