Geometry & MOs

Info

ID:	202984
PubChem CID:	79757795
Reduced:	ON2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	244.124549
ΔH_f, kcal/mol:	-31.18
Dipole, Da:	4.34
IP(EA), eV:	-9.57(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-methyloxolane-3-carboxamide

Drug info:

PubChemData

Smile

CC1C(CCO1)C(C(C)C2=CC=NC=C2)N

DOS

IR

Vibrations