Geometry & MOs

Info

ID:	79810
PubChem CID:	49830546
Reduced:	Cl2O2N4H14C19 (1)
Stoich.:	A2B2C4D14E19 (1)
Weight, g/mol:	308.174945
ΔH_f, kcal/mol:	53.81
Dipole, Da:	5.01
IP(EA), eV:	-8.42(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-cyclohexyl-2-N-(1H-indazol-5-yl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CN(C1=CC2=C(C=C1)NN=C2)C3=C(C(=O)C3=O)NCC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations