Geometry & MOs

Info

ID:	85594
PubChem CID:	49877412
Reduced:	ClN2O2C15H22 (1)
Stoich.:	AB2C2D15E22 (1)
Weight, g/mol:	304.123495
ΔH_f, kcal/mol:	-28.98
Dipole, Da:	1.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.781420
Charge, e:	-1

Chem-info

IUPAC name:

4-(4-tert-butyl-2-chlorophenoxy)-N-methylbutan-1-amine;chloride

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)OCCN2CCN(CC2)C.[Cl-]

DOS

IR

Vibrations