Geometry & MOs

Info

ID:	359597
PubChem CID:	127298871
Reduced:	O4N5C17H19 (1)
Stoich.:	A4B5C17D19 (1)
Weight, g/mol:	372.179755
ΔH_f, kcal/mol:	-80.23
Dipole, Da:	8.37
IP(EA), eV:	-9.12(-1.02)
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-[1-(oxolan-2-yl)propan-2-yl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC3=C(C=C2)OCCO3)C(=O)NC4CC(=O)N(C4)C

DOS

IR

Vibrations