Geometry & MOs

Info

ID:	371757
PubChem CID:	131271517
Reduced:	NF2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	271.97965
ΔH_f, kcal/mol:	-84.37
Dipole, Da:	2.88
IP(EA), eV:	-8.75(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-1-aminoprop-2-enyl]-4-bromo-6-nitrophenol

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)F)[C@H]2CCCCN2)F

DOS

IR

Vibrations