Geometry & MOs

Info

ID:	73347
PubChem CID:	48417486
Reduced:	O2F3N4C9H9 (1)
Stoich.:	A2B3C4D9E9 (1)
Weight, g/mol:	308.023166
ΔH_f, kcal/mol:	-170.62
Dipole, Da:	3.51
IP(EA), eV:	-9.63(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[3-(2,3-dichlorophenyl)propanoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C(=O)N1C(=C(C=N1)C#N)N)OCC(F)(F)F

DOS

IR

Vibrations