Geometry & MOs

Info

ID:	357440
PubChem CID:	127294073
Reduced:	N3O5C21H23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	371.159354
ΔH_f, kcal/mol:	-126.26
Dipole, Da:	3.51
IP(EA), eV:	-8.45(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C2CCCN2C(=O)C3CCN(C3=O)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations