Geometry & MOs

Info

ID:	272511
PubChem CID:	103744219
Reduced:	NO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	277.204179
ΔH_f, kcal/mol:	-62.42
Dipole, Da:	1.4
IP(EA), eV:	-8.86(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-[(tert-butylamino)methyl]oxan-3-yl]methyl]phenol

Drug info:

PubChemData

Smile

C1CC(COC1)(CC2=CC=C(C=C2)O)CNC3CC3

DOS

IR

Vibrations