Geometry & MOs

Info

ID:	270047
PubChem CID:	103624013
Reduced:	ClN5C14H16 (1)
Stoich.:	AB5C14D16 (1)
Weight, g/mol:	320.06366
ΔH_f, kcal/mol:	72.32
Dipole, Da:	8.74
IP(EA), eV:	-8.48(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=NN=C1CNCC2=CNC3=C2C=CC(=C3)Cl

DOS

IR

Vibrations