Geometry & MOs

Info

ID:	208415
PubChem CID:	80527489
Reduced:	SCl2N3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	295.090997
ΔH_f, kcal/mol:	42.15
Dipole, Da:	5.09
IP(EA), eV:	-9.18(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-5-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)(CNC1=NC(=NC=C1Cl)Cl)C2=CC=CS2

DOS

IR

Vibrations