Geometry & MOs

Info

ID:	353263
PubChem CID:	127284443
Reduced:	N2O4H20C21 (1)
Stoich.:	A2B4C20D21 (1)
Weight, g/mol:	394.152872
ΔH_f, kcal/mol:	-76.98
Dipole, Da:	4.55
IP(EA), eV:	-8.63(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine-1-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)OC(=C2)C(=O)N3CCCC3C4=C5C(=CC=C4)OCCO5

DOS

IR

Vibrations