Geometry & MOs

Info

ID:	359566
PubChem CID:	127298840
Reduced:	O3N5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	371.159354
ΔH_f, kcal/mol:	-49.16
Dipole, Da:	3.78
IP(EA), eV:	-8.62(-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-(2-oxoazepan-3-yl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC3=C(C=C2)OCCO3)C(=O)NCCN4CCCCCC4

DOS

IR

Vibrations