Geometry & MOs

Info

ID:	295865
PubChem CID:	117546174
Reduced:	NO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	269.04153
ΔH_f, kcal/mol:	-70.61
Dipole, Da:	2.08
IP(EA), eV:	-8.7(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(4-bromophenyl)oxetan-3-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CCNCC1(COC1)C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations