Geometry & MOs

Info

ID:	429810
PubChem CID:	135169863
Reduced:	OF3N3H8C14 (1)
Stoich.:	AB3C3D8E14 (1)
Weight, g/mol:	252.041403
ΔH_f, kcal/mol:	-82.88
Dipole, Da:	3.46
IP(EA), eV:	-9.95(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-chloro-5-(methoxyamino)pyridin-2-yl]pyrazole-4-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC=N2)C(=C1)N3C(=C(C=N3)C=O)C(F)(F)F

DOS

IR

Vibrations