Geometry & MOs

Info

ID:	429659
PubChem CID:	135169709
Reduced:	ClOF3N8H14C24 (1)
Stoich.:	ABC3D8E14F24 (1)
Weight, g/mol:	221.03559
ΔH_f, kcal/mol:	43.62
Dipole, Da:	3.95
IP(EA), eV:	-10.16(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-amino-2-chlorophenyl)pyrazole-4-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN=C2C#N)N3C(=C(C=N3)C(=O)CCC4=CC(=C(N=C4)N5N=CC=N5)Cl)C(F)(F)F

DOS

IR

Vibrations