Geometry & MOs

Info

ID:	201350
PubChem CID:	79527388
Reduced:	OCl2N2C14H18 (1)
Stoich.:	AB2C2D14E18 (1)
Weight, g/mol:	242.145285
ΔH_f, kcal/mol:	-56.42
Dipole, Da:	3.51
IP(EA), eV:	-9.14(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(aminomethyl)cyclohexyl]-thiomorpholin-4-ylmethanone

Drug info:

PubChemData

Smile

C1CC(CCC1CN)C(=O)NC2=C(C(=CC=C2)Cl)Cl

DOS

IR

Vibrations