Geometry & MOs

Info

ID:	247056
PubChem CID:	103067049
Reduced:	NSO3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	297.139865
ΔH_f, kcal/mol:	-102.05
Dipole, Da:	9.0
IP(EA), eV:	-9.38(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[(3-methylsulfonylphenoxy)methyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CC(C)NCC(=C)COC1=CC=C(C=C1)S(=O)(=O)C

DOS

IR

Vibrations