Geometry & MOs

Info

ID:	211470
PubChem CID:	80953305
Reduced:	ClO2N3C12H18 (1)
Stoich.:	AB2C3D12E18 (1)
Weight, g/mol:	283.181526
ΔH_f, kcal/mol:	-42.32
Dipole, Da:	5.17
IP(EA), eV:	-9.18(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-pentyl-N,2-di(propan-2-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CN(CC(COC)O)C1=CC(=NC(=N1)C2CC2)Cl

DOS

IR

Vibrations