Geometry & MOs

Info

ID:	442596
PubChem CID:	135253193
Reduced:	ClOF3N6H14C19 (1)
Stoich.:	ABC3D6E14F19 (1)
Weight, g/mol:	427.096666
ΔH_f, kcal/mol:	-62.98
Dipole, Da:	7.56
IP(EA), eV:	-9.61(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(4-chlorophenyl)-1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C2=NC=C(C(=C12)Cl)C(=O)NC3=CC=C(C=C3)C(F)(F)F)CC4=NN=CC4

DOS

IR

Vibrations