Geometry & MOs

Info

ID:	257140
PubChem CID:	103144022
Reduced:	N3C13H15 (1)
Stoich.:	A3B13C15 (1)
Weight, g/mol:	256.168797
ΔH_f, kcal/mol:	46.23
Dipole, Da:	5.64
IP(EA), eV:	-9.09(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3,5-diethyl-1,2,4-triazol-1-yl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=NC=CN1C2=CC=CC3=C2CNCC3

DOS

IR

Vibrations