Geometry & MOs

Info

ID:	257027
PubChem CID:	103143133
Reduced:	ON2C16H20 (1)
Stoich.:	AB2C16D20 (1)
Weight, g/mol:	289.053942
ΔH_f, kcal/mol:	-14.16
Dipole, Da:	4.11
IP(EA), eV:	-9.14(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CNCCC1(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations