Geometry & MOs

Info

ID:	211447
PubChem CID:	80952321
Reduced:	FN3C14H14 (1)
Stoich.:	AB3C14D14 (1)
Weight, g/mol:	267.173548
ΔH_f, kcal/mol:	19.48
Dipole, Da:	2.52
IP(EA), eV:	-9.44(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-6-(3-methylphenyl)-N-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=CC(=NC(=N2)C3CC3)N)F

DOS

IR

Vibrations