Geometry & MOs

Info

ID:	211429
PubChem CID:	80947771
Reduced:	ON2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	297.084431
ΔH_f, kcal/mol:	-19.71
Dipole, Da:	1.74
IP(EA), eV:	-9.64(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-6-chloro-N-(3,5-difluorophenyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=N1)OC2=CC=CC=C2CO)NN

DOS

IR

Vibrations