Geometry & MOs

Info

ID:	427956
PubChem CID:	135165580
Reduced:	BrClSO2N4C15H18 (1)
Stoich.:	ABCD2E4F15G18 (1)
Weight, g/mol:	385.142641
ΔH_f, kcal/mol:	-44.85
Dipole, Da:	8.68
IP(EA), eV:	-8.84(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C2=C3C=C(C(=NC3=NS2)Br)Cl

DOS

IR

Vibrations