Geometry & MOs

Info

ID:	442375
PubChem CID:	135251684
Reduced:	O2C13H26 (1)
Stoich.:	A2B13C26 (1)
Weight, g/mol:	430.200491
ΔH_f, kcal/mol:	-144.89
Dipole, Da:	1.83
IP(EA), eV:	-9.66(1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpiperidin-3-yl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C[C@@H]1[C@H](OCO1)CC(C)(C)C

DOS

IR

Vibrations