Geometry & MOs

Info

ID:	306225
PubChem CID:	125002977
Reduced:	N2O4C25H34 (1)
Stoich.:	A2B4C25D34 (1)
Weight, g/mol:	359.130363
ΔH_f, kcal/mol:	-141.96
Dipole, Da:	4.04
IP(EA), eV:	-9.0(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

C1C[C@@]2(C/C=C/CC3=CC=CC=C3OCC(=O)NC2)CN(C1)C(=O)CC4CCOCC4

DOS

IR

Vibrations