Geometry & MOs

Info

ID:	169604
PubChem CID:	75125459
Reduced:	SN2O5C26H34 (1)
Stoich.:	AB2C5D26E34 (1)
Weight, g/mol:	371.17644
ΔH_f, kcal/mol:	-165.53
Dipole, Da:	5.92
IP(EA), eV:	-8.31(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-(2-methylpiperidin-1-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(C)NC(=O)C2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3)OCC

DOS

IR

Vibrations