Geometry & MOs

Info

ID:	359557
PubChem CID:	127298831
Reduced:	O3N5C19H25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	397.120861
ΔH_f, kcal/mol:	-51.09
Dipole, Da:	5.71
IP(EA), eV:	-8.64(-0.77)
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-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN1CCCC1CNC(=O)C2=C(N(N=N2)C3=CC4=C(C=C3)OCCO4)C

DOS

IR

Vibrations