Geometry & MOs

Info

ID:	173343
PubChem CID:	75625592
Reduced:	OSN2C17H20 (1)
Stoich.:	ABC2D17E20 (1)
Weight, g/mol:	361.119319
ΔH_f, kcal/mol:	6.79
Dipole, Da:	3.65
IP(EA), eV:	-9.22(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethylprop-2-enamide

Drug info:

PubChemData

Smile

CCC(CNC(=O)C=CC1=CSC(=N1)C)C2=CC=CC=C2

DOS

IR

Vibrations