Geometry & MOs

Info

ID:	429675
PubChem CID:	135169725
Reduced:	OF3N6H7C11 (1)
Stoich.:	AB3C6D7E11 (1)
Weight, g/mol:	224.082874
ΔH_f, kcal/mol:	-69.53
Dipole, Da:	4.97
IP(EA), eV:	-9.84(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-methyl-6-(1-methylpyrazol-3-yl)-1,2-dihydropyridin-3-amine

Drug info:

PubChemData

Smile

C1=CN2C(=CN=CC2=N1)N3C=C(C(=N3)C(F)(F)F)C(=O)N

DOS

IR

Vibrations