Geometry & MOs

Info

ID:	1839
PubChem CID:	5164
Reduced:	FN6C18H19 (1)
Stoich.:	AB6C18D19 (1)
Weight, g/mol:	338.165523
ΔH_f, kcal/mol:	40.43
Dipole, Da:	5.52
IP(EA), eV:	-8.97(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CNCCC1N2C=NC(=C2C3=NC(=NC=C3)N)C4=CC=C(C=C4)F

DOS

IR

Vibrations