Geometry & MOs

Info

ID:	359594
PubChem CID:	127298868
Reduced:	O3N6C20H22 (1)
Stoich.:	A3B6C20D22 (1)
Weight, g/mol:	360.125612
ΔH_f, kcal/mol:	-11.67
Dipole, Da:	5.55
IP(EA), eV:	-9.1(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-N-(thian-4-yl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC3=C(C=C2)OCCO3)C(=O)N4CCC(CC4)C5=NC=CN5

DOS

IR

Vibrations