Geometry & MOs

Info

ID:	132016
PubChem CID:	51291467
Reduced:	SN3O3C16H19 (1)
Stoich.:	AB3C3D16E19 (1)
Weight, g/mol:	307.149619
ΔH_f, kcal/mol:	-82.25
Dipole, Da:	6.97
IP(EA), eV:	-9.16(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,4-difluorophenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C(=O)NCC(=O)NCC2=NC(=CS2)C

DOS

IR

Vibrations