Geometry & MOs

Info

ID:	283686
PubChem CID:	103998558
Reduced:	ON3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	257.12766
ΔH_f, kcal/mol:	4.96
Dipole, Da:	2.73
IP(EA), eV:	-8.64(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=CC3=C(CNC3)C=C2)C4=CC=CN4

DOS

IR

Vibrations