Geometry & MOs

Info

ID:	205091
PubChem CID:	80054637
Reduced:	OSN2C15H18 (1)
Stoich.:	ABC2D15E18 (1)
Weight, g/mol:	222.11907
ΔH_f, kcal/mol:	11.51
Dipole, Da:	3.26
IP(EA), eV:	-8.96(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-pyridin-4-ylsulfanylcyclohexyl)methanamine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN)OCCCSC2=CC=NC=C2

DOS

IR

Vibrations