Geometry & MOs

Info

ID:	421429
PubChem CID:	135115994
Reduced:	N2S2O3C15H16 (1)
Stoich.:	A2B2C3D15E16 (1)
Weight, g/mol:	269.12949
ΔH_f, kcal/mol:	-58.74
Dipole, Da:	4.66
IP(EA), eV:	-8.7(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N,2-dimethyl-N-[2-(oxan-2-yl)ethyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=N2)CCNC(=O)C3=C4C(=CS3)OCCO4

DOS

IR

Vibrations