Geometry & MOs

Info

ID:	438415
PubChem CID:	135228153
Reduced:	N2O2C10H13 (2)
Stoich.:	A2B2C10D13 (2)
Weight, g/mol:	214.175522
ΔH_f, kcal/mol:	-123.03
Dipole, Da:	5.78
IP(EA), eV:	-8.69(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylbutyl)-1-pentylsulfanylcyclopropane

Drug info:

PubChemData

Smile

CCOCC1=NC2=C(N1CC(C)(C)O)C3=CC=CC=C3N=C2NC(=O)COC

DOS

IR

Vibrations