Geometry & MOs

Info

ID:	288436
PubChem CID:	104316610
Reduced:	NO2C14H23 (1)
Stoich.:	AB2C14D23 (1)
Weight, g/mol:	235.157229
ΔH_f, kcal/mol:	-96.46
Dipole, Da:	2.76
IP(EA), eV:	-8.65(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(cyclopropylamino)methyl]phenoxy]butan-2-ol

Drug info:

PubChemData

Smile

CC(C)NCC1=CC=C(C=C1)OCCC(C)O

DOS

IR

Vibrations