Geometry & MOs

Info

ID:	208414
PubChem CID:	80527433
Reduced:	OSN2C15H24 (1)
Stoich.:	ABC2D15E24 (1)
Weight, g/mol:	301.020724
ΔH_f, kcal/mol:	-52.57
Dipole, Da:	4.7
IP(EA), eV:	-9.28(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-N-(2-methyl-2-thiophen-2-ylpropyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1CCCCC1N)C2=CC=CS2

DOS

IR

Vibrations