Geometry & MOs

Info

ID:	426990
PubChem CID:	135154885
Reduced:	FNOH5C6 (2)
Stoich.:	ABCD5E6 (2)
Weight, g/mol:	342.099587
ΔH_f, kcal/mol:	-108.72
Dipole, Da:	6.24
IP(EA), eV:	-10.08(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]pyrazole-4-carbaldehyde

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN(N=C1)C2=C(C=CC=C2F)F

DOS

IR

Vibrations