Geometry & MOs

Info

ID:	288437
PubChem CID:	104316611
Reduced:	NO2C14H21 (1)
Stoich.:	AB2C14D21 (1)
Weight, g/mol:	315.08339
ΔH_f, kcal/mol:	-62.8
Dipole, Da:	2.32
IP(EA), eV:	-8.64(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-bromo-2-(propylaminomethyl)phenoxy]butan-2-ol

Drug info:

PubChemData

Smile

CC(CCOC1=CC=C(C=C1)CNC2CC2)O

DOS

IR

Vibrations