Geometry & MOs

Info

ID:	346808
PubChem CID:	127271312
Reduced:	FN2O3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	385.18017
ΔH_f, kcal/mol:	-144.1
Dipole, Da:	4.97
IP(EA), eV:	-9.19(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2CC1CN2C(=O)NCC3=CC(=CC4=C3OCOC4)F

DOS

IR

Vibrations