Geometry & MOs

Info

ID:	272469
PubChem CID:	103743649
Reduced:	NO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	341.06266
ΔH_f, kcal/mol:	-15.63
Dipole, Da:	3.89
IP(EA), eV:	-8.82(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-bromo-1,3-benzodioxol-5-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine

Drug info:

PubChemData

Smile

CC1(CCOCC1)CNCC2=CC=CC=C2OCC#C

DOS

IR

Vibrations