Geometry & MOs

Info

ID:	245544
PubChem CID:	99453795
Reduced:	Cl2N3O3H23C26 (1)
Stoich.:	A2B3C3D23E26 (1)
Weight, g/mol:	421.00874
ΔH_f, kcal/mol:	-81.58
Dipole, Da:	9.97
IP(EA), eV:	-8.84(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-4-iodobenzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCC[C@H]2C(=O)NC3=C(C=CC(=C3)Cl)Cl)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations