Geometry & MOs

Info

ID:	272512
PubChem CID:	103744220
Reduced:	NO2C17H27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	277.204179
ΔH_f, kcal/mol:	-103.63
Dipole, Da:	3.71
IP(EA), eV:	-8.87(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-[(tert-butylamino)methyl]oxan-3-yl]methyl]phenol

Drug info:

PubChemData

Smile

CC(C)(C)NCC1(CCCOC1)CC2=CC(=CC=C2)O

DOS

IR

Vibrations