Geometry & MOs

Info

ID:	438409
PubChem CID:	135228147
Reduced:	N5O6C28H41 (1)
Stoich.:	A5B6C28D41 (1)
Weight, g/mol:	186.144222
ΔH_f, kcal/mol:	-250.71
Dipole, Da:	4.95
IP(EA), eV:	-8.7(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butylsulfanyl-1-(2-methylpropyl)cyclopropane

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations