Geometry & MOs

Info

ID:	282751
PubChem CID:	103938029
Reduced:	BrFON2C14H14 (1)
Stoich.:	ABCD2E14F14 (1)
Weight, g/mol:	232.132411
ΔH_f, kcal/mol:	-31.07
Dipole, Da:	2.81
IP(EA), eV:	-9.54(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[5-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridin-2-yl]propan-1-amine

Drug info:

PubChemData

Smile

CC[C@@H](C1=NC=C(C=C1)OC2=CC(=CC(=C2)Br)F)N

DOS

IR

Vibrations