Geometry & MOs

Info

ID:	375394
PubChem CID:	131500183
Reduced:	NOF3C10H12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	210.100442
ΔH_f, kcal/mol:	-193.14
Dipole, Da:	5.39
IP(EA), eV:	-9.79(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-amino-1-(5-methyl-2-nitrophenyl)propan-2-ol

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)CO)[C@@H](C(F)(F)F)N

DOS

IR

Vibrations