Geometry & MOs

Info

ID:	180369
PubChem CID:	76622760
Reduced:	F3O3N7H24C25 (1)
Stoich.:	A3B3C7D24E25 (1)
Weight, g/mol:	237.172879
ΔH_f, kcal/mol:	-128.39
Dipole, Da:	3.08
IP(EA), eV:	-8.42(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-amine

Drug info:

PubChemData

Smile

CC(C1=C(N=C(O1)C2=C3C=CC(=NC3=C(C=C2)OC)C(F)(F)F)C(=O)NCC4=C5C(=CC=C4)N(NN5)C)N

DOS

IR

Vibrations