Geometry & MOs

Info

ID:	282380
PubChem CID:	103924280
Reduced:	OSN3C12H19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	275.0321
ΔH_f, kcal/mol:	-14.67
Dipole, Da:	3.74
IP(EA), eV:	-8.61(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(2-bromo-4-fluorophenyl)methylamino]butan-1-ol

Drug info:

PubChemData

Smile

CC[C@H](CO)NCC1=C(N=C2N1C=C(S2)C)C

DOS

IR

Vibrations