Geometry & MOs

Info

ID:	137462
PubChem CID:	52211447
Reduced:	SN2O2C19H20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	317.152812
ΔH_f, kcal/mol:	-23.55
Dipole, Da:	4.75
IP(EA), eV:	-9.16(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1-benzyl-3-phenylpyrazol-4-yl)-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

C[C@H]1C2=C(CCN1C(=O)C3=CC=C(C=C3)CNC(=O)C=C)SC=C2

DOS

IR

Vibrations