Geometry & MOs

Info

ID:	281411
PubChem CID:	103913829
Reduced:	N6C11H18 (1)
Stoich.:	A6B11C18 (1)
Weight, g/mol:	283.124215
ΔH_f, kcal/mol:	66.67
Dipole, Da:	7.07
IP(EA), eV:	-9.3(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-methoxyphenyl)ethyl]-1,1-dioxothian-3-amine

Drug info:

PubChemData

Smile

CCN1C=NN=C1CNC(C)C2=NC=CN2C

DOS

IR

Vibrations