Geometry & MOs

Info

ID:	347105
PubChem CID:	127271609
Reduced:	FN4O4C18H25 (1)
Stoich.:	AB4C4D18E25 (1)
Weight, g/mol:	391.151904
ΔH_f, kcal/mol:	-196.57
Dipole, Da:	7.39
IP(EA), eV:	-9.17(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=O)CN1CCN(CC1)C(=O)NCC2=CC(=CC3=C2OCOC3)F

DOS

IR

Vibrations