Geometry & MOs

Info

ID:	211424
PubChem CID:	80947221
Reduced:	SN7C11H17 (1)
Stoich.:	AB7C11D17 (1)
Weight, g/mol:	303.11384
ΔH_f, kcal/mol:	95.29
Dipole, Da:	4.59
IP(EA), eV:	-9.2(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-6-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=N1)SC2=NN=NN2C)NCC

DOS

IR

Vibrations