Geometry & MOs

Info

ID:	292374
PubChem CID:	114917811
Reduced:	OCl2N3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	301.136117
ΔH_f, kcal/mol:	5.47
Dipole, Da:	4.91
IP(EA), eV:	-8.84(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-1-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-amine

Drug info:

PubChemData

Smile

CN(C)CC1=CC=C(C=C1)NC(=O)C2=CC(=NC=C2Cl)Cl

DOS

IR

Vibrations