Geometry & MOs

Info

ID:	282757
PubChem CID:	103938062
Reduced:	BrON2C15H17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	235.089167
ΔH_f, kcal/mol:	5.96
Dipole, Da:	3.11
IP(EA), eV:	-9.08(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-2-yl]propan-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations