Geometry & MOs

Info

ID:	341978
PubChem CID:	127264671
Reduced:	BrNO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	237.036813
ΔH_f, kcal/mol:	-35.75
Dipole, Da:	2.66
IP(EA), eV:	-9.64(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)ethanamine;hydrochloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC(=O)NCC2=CC(=CC=C2)Br

DOS

IR

Vibrations