Geometry & MOs

Info

ID:	279884
PubChem CID:	103845527
Reduced:	NOC16H27 (1)
Stoich.:	ABC16D27 (1)
Weight, g/mol:	271.133907
ΔH_f, kcal/mol:	-64.27
Dipole, Da:	2.53
IP(EA), eV:	-8.93(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[[[2-ethyl-2-(hydroxymethyl)butyl]amino]methyl]phenol

Drug info:

PubChemData

Smile

CCC(CC)(CNCC1=CC=CC(=C1C)C)CO

DOS

IR

Vibrations