Geometry & MOs

Info

ID:	205272
PubChem CID:	80078613
Reduced:	NO4C16H25 (1)
Stoich.:	AB4C16D25 (1)
Weight, g/mol:	359.10961
ΔH_f, kcal/mol:	-133.85
Dipole, Da:	2.4
IP(EA), eV:	-8.47(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]butan-2-ol

Drug info:

PubChemData

Smile

CC(C(C)OC1=C(C=C(C=C1OC)CNC2CC2)OC)O

DOS

IR

Vibrations