Geometry & MOs

Info

ID:	271377
PubChem CID:	103671298
Reduced:	SN2O2C16H20 (1)
Stoich.:	AB2C2D16E20 (1)
Weight, g/mol:	241.147807
ΔH_f, kcal/mol:	-34.02
Dipole, Da:	2.86
IP(EA), eV:	-9.11(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-fluorophenyl)methylamino]-4-methoxy-2-methylbutan-2-ol

Drug info:

PubChemData

Smile

C1COCCC1(CO)NCC2=NC(=CS2)C3=CC=CC=C3

DOS

IR

Vibrations