Geometry & MOs

Info

ID:	156984
PubChem CID:	56404344
Reduced:	SN2O5C21H26 (1)
Stoich.:	AB2C5D21E26 (1)
Weight, g/mol:	310.189257
ΔH_f, kcal/mol:	-161.89
Dipole, Da:	5.83
IP(EA), eV:	-8.5(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC(=C(C=C2)OC)OC)C(=O)N3CCC(CC3)C4OCCO4

DOS

IR

Vibrations