Geometry & MOs

Info

ID:	359596
PubChem CID:	127298870
Reduced:	FON2C9H10 (2)
Stoich.:	ABC2D9E10 (2)
Weight, g/mol:	357.143704
ΔH_f, kcal/mol:	-73.02
Dipole, Da:	3.39
IP(EA), eV:	-9.51(-0.55)
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-5-oxopyrrolidin-3-yl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)C3CC3C4=CC(=C(C=C4)F)F

DOS

IR

Vibrations