Geometry & MOs

Info

ID:	257220
PubChem CID:	103144471
Reduced:	NOC7H11 (2)
Stoich.:	ABC7D11 (2)
Weight, g/mol:	264.129634
ΔH_f, kcal/mol:	-101.09
Dipole, Da:	3.87
IP(EA), eV:	-7.78(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-2,5-dimethylphenyl)-2-methylthiolane-2-carboxamide

Drug info:

PubChemData

Smile

CCCOCCC(=O)NC1=CC(=C(C=C1C)N)C

DOS

IR

Vibrations