Geometry & MOs

Info

ID:	61067
PubChem CID:	26705162
Reduced:	NF3O3C19H20 (1)
Stoich.:	AB3C3D19E20 (1)
Weight, g/mol:	421.05249
ΔH_f, kcal/mol:	-256.15
Dipole, Da:	2.59
IP(EA), eV:	-8.91(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,5-dimethoxybenzamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)CCC(=O)NCC2=CC(=CC=C2)C(F)(F)F)OC

DOS

IR

Vibrations