Geometry & MOs

Info

ID:	438349
PubChem CID:	135228082
Reduced:	ON3C27H33 (1)
Stoich.:	AB3C27D33 (1)
Weight, g/mol:	294.150095
ΔH_f, kcal/mol:	22.36
Dipole, Da:	1.89
IP(EA), eV:	-8.18(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 1-[3-(2-hydroxypropan-2-yloxy)propyl]cyclopropane-1-sulfonate

Drug info:

PubChemData

Smile

CC(C)CCCOC1=CC2=C(C3=CC=CC=C3C2)C(=C1)C4=CN(N=C4)C(C)(C)C(=C)N

DOS

IR

Vibrations