Geometry & MOs

Info

ID:	314256
PubChem CID:	126621066
Reduced:	SN2O3H18C22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	140.106196
ΔH_f, kcal/mol:	-8.94
Dipole, Da:	6.41
IP(EA), eV:	-8.71(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3,3a,4,6,7,7a-hexahydrotriazolo[4,5-c]pyridine

Drug info:

PubChemData

Smile

COSC1=CC=C(C=C1)COC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)C#N

DOS

IR

Vibrations