Geometry & MOs

Info

ID:	357506
PubChem CID:	127294139
Reduced:	F2N4O4C17H18 (1)
Stoich.:	A2B4C4D17E18 (1)
Weight, g/mol:	360.168522
ΔH_f, kcal/mol:	-237.35
Dipole, Da:	4.82
IP(EA), eV:	-9.58(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methyl-1,4-oxazepane-4-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1C(=O)CCC2C(=O)N(C(=O)N2)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations