Geometry & MOs

Info

ID:	374081
PubChem CID:	131323478
Reduced:	INO2C9H10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	266.98705
ΔH_f, kcal/mol:	-46.2
Dipole, Da:	2.98
IP(EA), eV:	-8.77(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(3-bromo-4-fluorophenyl)-3,3-difluoropropan-1-amine

Drug info:

PubChemData

Smile

CC(=O)C1=C(C(=CC(=C1)OC)N)I

DOS

IR

Vibrations