Geometry & MOs

Info

ID:	271401
PubChem CID:	103674884
Reduced:	N3O3C14H19 (1)
Stoich.:	A3B3C14D19 (1)
Weight, g/mol:	272.086245
ΔH_f, kcal/mol:	-33.44
Dipole, Da:	8.27
IP(EA), eV:	-9.49(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-N-(3-methylsulfanylcyclohexyl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC(C)(C)CC(CNC1=C(C=C(C=C1)[N+](=O)[O-])C#N)O

DOS

IR

Vibrations