Geometry & MOs

Info

ID:	55615
PubChem CID:	17395669
Reduced:	NOF2H13C15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	372.148535
ΔH_f, kcal/mol:	-99.66
Dipole, Da:	4.52
IP(EA), eV:	-8.65(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)F)F)C

DOS

IR

Vibrations