Geometry & MOs

Info

ID:	295848
PubChem CID:	117545626
Reduced:	NOC16H25 (1)
Stoich.:	ABC16D25 (1)
Weight, g/mol:	249.172879
ΔH_f, kcal/mol:	-40.11
Dipole, Da:	2.69
IP(EA), eV:	-9.23(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3-ethyl-4-methoxyphenyl)oxetan-3-yl]propan-2-amine

Drug info:

PubChemData

Smile

CC(CC1(COC1)C2=CC=C(C=C2)C(C)(C)C)N

DOS

IR

Vibrations