Geometry & MOs

Info

ID:	359550
PubChem CID:	127298824
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	344.148455
ΔH_f, kcal/mol:	-26.72
Dipole, Da:	4.09
IP(EA), eV:	-7.8(-0.4)
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-(oxolan-2-ylmethyl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1CC2=C(O1)C(=CC(=C2)OC)CNC3CCCN(C3)C4=NN=C(C=C4)C

DOS

IR

Vibrations