Geometry & MOs

Info

ID:	256050
PubChem CID:	103136622
Reduced:	BrNO2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	341.09904
ΔH_f, kcal/mol:	-84.22
Dipole, Da:	1.52
IP(EA), eV:	-9.47(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-bromo-4-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=C(C=CC=C2Br)CC(C)N

DOS

IR

Vibrations