Geometry & MOs

Info

ID:	206078
PubChem CID:	80199831
Reduced:	ION2H11C16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	253.041818
ΔH_f, kcal/mol:	52.8
Dipole, Da:	1.13
IP(EA), eV:	-8.93(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-amino-1-methylpyrazol-4-yl)-(4-chloro-2-fluorophenyl)methanone

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)NC(=O)C3=CC(=CC=C3)I

DOS

IR

Vibrations