Geometry & MOs

Info

ID:	288435
PubChem CID:	104316608
Reduced:	NO2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	237.172879
ΔH_f, kcal/mol:	-79.89
Dipole, Da:	1.73
IP(EA), eV:	-8.59(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(propan-2-ylamino)methyl]phenoxy]butan-2-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations