Geometry & MOs

Info

ID:	375465
PubChem CID:	131529827
Reduced:	NOF3C10H12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	217.091435
ΔH_f, kcal/mol:	-186.56
Dipole, Da:	2.75
IP(EA), eV:	-9.89(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-aminoethyl]-6-(difluoromethyl)-4-methoxyphenol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations