Geometry & MOs

Info

ID:	211434
PubChem CID:	80949988
Reduced:	ON4C14H14 (1)
Stoich.:	AB4C14D14 (1)
Weight, g/mol:	248.200097
ΔH_f, kcal/mol:	39.97
Dipole, Da:	6.45
IP(EA), eV:	-9.51(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N,6-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]-2-propylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=N1)OC2=CC=C(C=C2)C#N)N

DOS

IR

Vibrations