Geometry & MOs

Info

ID:	283605
PubChem CID:	103992578
Reduced:	BrNO3C15H24 (1)
Stoich.:	ABC3D15E24 (1)
Weight, g/mol:	305.143864
ΔH_f, kcal/mol:	-119.85
Dipole, Da:	3.73
IP(EA), eV:	-9.0(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]propoxy]ethanol

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)Br)CNCCCOCCO

DOS

IR

Vibrations