Geometry & MOs

Info

ID:	257022
PubChem CID:	103143122
Reduced:	ON2C17H20 (1)
Stoich.:	AB2C17D20 (1)
Weight, g/mol:	269.108565
ΔH_f, kcal/mol:	14.58
Dipole, Da:	2.77
IP(EA), eV:	-9.12(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(5-methyloxolan-2-yl)methylsulfonyl]aniline

Drug info:

PubChemData

Smile

CC1CC(CN1C2CC2)(C3=CC=CC4=C3C=NC=C4)O

DOS

IR

Vibrations