Geometry & MOs

Info

ID:	247054
PubChem CID:	103067043
Reduced:	ClNOC17H20 (1)
Stoich.:	ABCD17E20 (1)
Weight, g/mol:	297.139865
ΔH_f, kcal/mol:	-8.29
Dipole, Da:	4.26
IP(EA), eV:	-8.43(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[(4-methylsulfonylphenoxy)methyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CC(C)NCC(=C)COC1=CC=C(C2=CC=CC=C21)Cl

DOS

IR

Vibrations