Geometry & MOs

Info

ID:	154256
PubChem CID:	56313664
Reduced:	FN2O4C19H21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	363.103749
ΔH_f, kcal/mol:	-106.7
Dipole, Da:	3.63
IP(EA), eV:	-9.65(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[2-(2-fluorophenyl)-2-methylpropyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)NCC(C)(C)C2=CC=CC=C2F)[N+](=O)[O-]

DOS

IR

Vibrations