Geometry & MOs

Info

ID:	30374
PubChem CID:	841211
Reduced:	O4N5C13H13 (1)
Stoich.:	A4B5C13D13 (1)
Weight, g/mol:	283.093247
ΔH_f, kcal/mol:	32.9
Dipole, Da:	3.73
IP(EA), eV:	-9.37(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(3-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1N(O)O)C(=O)N=NC=C2C=CC(=O)C=C2)C

DOS

IR

Vibrations