Geometry & MOs

Info

ID:	357447
PubChem CID:	127294080
Reduced:	FON4C23H29 (1)
Stoich.:	ABC4D23E29 (1)
Weight, g/mol:	397.175004
ΔH_f, kcal/mol:	-21.44
Dipole, Da:	5.75
IP(EA), eV:	-8.68(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C3=C(CCC3)C(=N2)C(=O)NC4CCN(CC4)CC5CC5)F

DOS

IR

Vibrations