Geometry & MOs

Info

ID:	370479
PubChem CID:	127339014
Reduced:	N2O2C9H11 (2)
Stoich.:	A2B2C9D11 (2)
Weight, g/mol:	357.143704
ΔH_f, kcal/mol:	-141.32
Dipole, Da:	2.47
IP(EA), eV:	-9.66(-0.9)
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-methyl-2-oxopyrrolidin-3-yl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1CCC(C1=O)NC(=O)C2=CC=C(C=C2)C(=O)NC3CCN(C3=O)C

DOS

IR

Vibrations