Geometry & MOs

Info

ID:	168900
PubChem CID:	75039911
Reduced:	ClOC11H11 (1)
Stoich.:	ABC11D11 (1)
Weight, g/mol:	404.207307
ΔH_f, kcal/mol:	-6.94
Dipole, Da:	1.35
IP(EA), eV:	-9.54(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-aminocyclohexyl)amino]-4-(4-pyrimidin-2-ylanilino)pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C1C2C(C2(CO1)Cl)C3=CC=CC=C3

DOS

IR

Vibrations