Geometry & MOs

Info

ID:	246335
PubChem CID:	103059263
Reduced:	BrO3N4H11C12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	283.262363
ΔH_f, kcal/mol:	27.03
Dipole, Da:	6.28
IP(EA), eV:	-9.2(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N-ethyloxan-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC2=CN=C(C=N2)N)[N+](=O)[O-])Br

DOS

IR

Vibrations