Geometry & MOs

Info

ID:	198915
PubChem CID:	79171033
Reduced:	ON3C15H25 (1)
Stoich.:	AB3C15D25 (1)
Weight, g/mol:	272.075012
ΔH_f, kcal/mol:	33.4
Dipole, Da:	3.66
IP(EA), eV:	-8.53(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-[(4-methylmorpholin-2-yl)methylsulfanyl]aniline

Drug info:

PubChemData

Smile

CC1=C(C=C(O1)CN)CN2CCC3CCC(C2)N3C

DOS

IR

Vibrations