Geometry & MOs

Info

ID:	292668
PubChem CID:	117356718
Reduced:	ClNOC13H20 (1)
Stoich.:	ABCD13E20 (1)
Weight, g/mol:	241.123342
ΔH_f, kcal/mol:	-54.7
Dipole, Da:	3.23
IP(EA), eV:	-9.15(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-aminobutan-2-yl)-4-chloro-6-propan-2-ylphenol

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=CC(=C1)Cl)C(C)(C)N)OC

DOS

IR

Vibrations