Geometry & MOs

Info

ID:	256049
PubChem CID:	103136618
Reduced:	NO3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	327.08339
ΔH_f, kcal/mol:	-135.43
Dipole, Da:	4.95
IP(EA), eV:	-8.5(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-bromo-2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-2-amine

Drug info:

PubChemData

Smile

CCC(CC1=C(C=C(C=C1)OC)OCC2CCC(O2)C)N

DOS

IR

Vibrations