Geometry & MOs

Info

ID:	419394
PubChem CID:	135108111
Reduced:	ON5C16H23 (1)
Stoich.:	AB5C16D23 (1)
Weight, g/mol:	367.07574
ΔH_f, kcal/mol:	11.5
Dipole, Da:	1.76
IP(EA), eV:	-8.79(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chloropyrazol-1-yl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)CCN(C)C(C)C(=O)NC2=CC=CC=N2

DOS

IR

Vibrations