Geometry & MOs

Info

ID:	205837
PubChem CID:	80163512
Reduced:	N4O5C11H12 (1)
Stoich.:	A4B5C11D12 (1)
Weight, g/mol:	275.132157
ΔH_f, kcal/mol:	-84.98
Dipole, Da:	6.91
IP(EA), eV:	-9.52(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-[(1S)-1-aminoethyl]-4-fluoro-5-methylphenoxy]phenyl]methanol

Drug info:

PubChemData

Smile

COC(=O)C(CO)NC1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations