Geometry & MOs

Info

ID:	269056
PubChem CID:	103609100
Reduced:	ClO2N3C15H22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	-22.69
Dipole, Da:	7.46
IP(EA), eV:	-8.94(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,5-dimethylphenoxy)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

Drug info:

PubChemData

Smile

CC(C)CN1CCC(CC1)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations