Geometry & MOs

Info

ID:	255222
PubChem CID:	103130741
Reduced:	BrFON2H10C11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	188.106196
ΔH_f, kcal/mol:	-36.99
Dipole, Da:	4.92
IP(EA), eV:	-8.57(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpyrazol-3-yl)-pyridin-2-ylmethanamine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2=C(C=CC=C2Br)F)O

DOS

IR

Vibrations