Geometry & MOs

Info

ID:	270531
PubChem CID:	103637030
Reduced:	BrON2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	346.04292
ΔH_f, kcal/mol:	2.61
Dipole, Da:	6.26
IP(EA), eV:	-8.29(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]phenol

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CNCC2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations