Geometry & MOs

Info

ID:	359560
PubChem CID:	127298834
Reduced:	O3N5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	371.159354
ΔH_f, kcal/mol:	-30.26
Dipole, Da:	6.26
IP(EA), eV:	-8.8(-0.8)
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-oxo-2-pyrrolidin-1-ylethyl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC3=C(C=C2)OCCO3)C(=O)NC4CCN(CC4)C5CC5

DOS

IR

Vibrations