Geometry & MOs

Info

ID:	350227
PubChem CID:	127277305
Reduced:	O2N4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	379.190734
ΔH_f, kcal/mol:	-33.85
Dipole, Da:	5.9
IP(EA), eV:	-8.6(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(2-methylpropanoyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC2=CC=CC=C21)C(=O)NCCN3C(=O)CC4=CC=CC=C43

DOS

IR

Vibrations