Geometry & MOs

Info

ID:	292140
PubChem CID:	114465822
Reduced:	SN3O4C13H17 (1)
Stoich.:	AB3C4D13E17 (1)
Weight, g/mol:	261.209264
ΔH_f, kcal/mol:	-107.48
Dipole, Da:	4.69
IP(EA), eV:	-9.53(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-tert-butylphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine

Drug info:

PubChemData

Smile

CCOC(=O)NS(=O)(=O)NCC1=CC=C(C=C1)C#CCN

DOS

IR

Vibrations