Geometry & MOs

Info

ID:	288438
PubChem CID:	104316617
Reduced:	BrNO2C14H22 (1)
Stoich.:	ABC2D14E22 (1)
Weight, g/mol:	268.142307
ΔH_f, kcal/mol:	-88.12
Dipole, Da:	5.1
IP(EA), eV:	-8.81(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(ethylaminomethyl)-2-nitrophenoxy]butan-2-ol

Drug info:

PubChemData

Smile

CCCNCC1=C(C=CC(=C1)Br)OCCC(C)O

DOS

IR

Vibrations