Geometry & MOs

Info

ID:	262237
PubChem CID:	103278610
Reduced:	BrFN4C15H16 (1)
Stoich.:	ABC4D15E16 (1)
Weight, g/mol:	272.174945
ΔH_f, kcal/mol:	13.74
Dipole, Da:	2.24
IP(EA), eV:	-8.99(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-3-yl]methanamine

Drug info:

PubChemData

Smile

C1CN(CCC1N)C2=NC=CC(=N2)C3=C(C=C(C=C3)Br)F

DOS

IR

Vibrations