Geometry & MOs

Info

ID:	277348
PubChem CID:	103827993
Reduced:	BrNO3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	329.09904
ΔH_f, kcal/mol:	-115.48
Dipole, Da:	2.54
IP(EA), eV:	-9.17(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-bromo-5-methoxyphenyl)methylamino]-4,4-dimethylpentan-2-ol

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)Br)CNC2(CCOCC2)CO

DOS

IR

Vibrations