Geometry & MOs

Info

ID:	295866
PubChem CID:	117546178
Reduced:	BrNOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	265.167794
ΔH_f, kcal/mol:	-4.94
Dipole, Da:	3.36
IP(EA), eV:	-9.29(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(2,5-dimethoxy-4-methylphenyl)oxetan-3-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CCNCC1(COC1)C2=CC=C(C=C2)Br

DOS

IR

Vibrations