Geometry & MOs

Info

ID:	340935
PubChem CID:	127263370
Reduced:	BrFO2H6C8 (1)
Stoich.:	ABC2D6E8 (1)
Weight, g/mol:	220.053404
ΔH_f, kcal/mol:	-110.93
Dipole, Da:	3.68
IP(EA), eV:	-10.1(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenylazetidin-3-amine;dihydrochloride

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1F)Br)C(=O)O

DOS

IR

Vibrations