Geometry & MOs

Info

ID:	295834
PubChem CID:	117545405
Reduced:	BrNOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	249.172879
ΔH_f, kcal/mol:	-14.3
Dipole, Da:	3.59
IP(EA), eV:	-9.5(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(5-ethyl-2-methoxyphenyl)oxetan-3-yl]propan-2-amine

Drug info:

PubChemData

Smile

CC(C)(C1(COC1)C2=CC=C(C=C2)Br)N

DOS

IR

Vibrations