Geometry & MOs

Info

ID:	418826
PubChem CID:	135106931
Reduced:	OCl2N3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	307.1606
ΔH_f, kcal/mol:	-6.06
Dipole, Da:	2.5
IP(EA), eV:	-9.29(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dimethylphenyl)methylsulfanyl]-N-(oxan-3-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CN1C=NC=C1CN(CCO)CC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations