Geometry & MOs

Info

ID:	281369
PubChem CID:	103913772
Reduced:	ON3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	256.168797
ΔH_f, kcal/mol:	23.73
Dipole, Da:	3.82
IP(EA), eV:	-9.39(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(O1)CN[C@H](C)C2=CC=CC=C2

DOS

IR

Vibrations