Geometry & MOs

Info

ID:	292670
PubChem CID:	117356741
Reduced:	ClNOC13H20 (1)
Stoich.:	ABCD13E20 (1)
Weight, g/mol:	241.123342
ΔH_f, kcal/mol:	-56.05
Dipole, Da:	2.19
IP(EA), eV:	-8.74(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-aminopropyl)-6-tert-butyl-4-chlorophenol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations