Geometry & MOs

Info

ID:	282073
PubChem CID:	103915241
Reduced:	N2O2C17H28 (1)
Stoich.:	A2B2C17D28 (1)
Weight, g/mol:	334.07931
ΔH_f, kcal/mol:	-93.23
Dipole, Da:	4.7
IP(EA), eV:	-8.51(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(2-bromophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine

Drug info:

PubChemData

Smile

CCN(C)C(=O)CNC(C)C1=CC=C(C=C1)OCC(C)C

DOS

IR

Vibrations