Geometry & MOs

Info

ID:	255457
PubChem CID:	103132172
Reduced:	N5C14H21 (1)
Stoich.:	A5B14C21 (1)
Weight, g/mol:	259.179696
ΔH_f, kcal/mol:	50.03
Dipole, Da:	3.5
IP(EA), eV:	-8.73(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-N,5-dimethyl-6-(1-methylpyrazol-3-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=N1)NCCC)C2=NN(C=C2)C

DOS

IR

Vibrations