Geometry & MOs

Info

ID:	438420
PubChem CID:	135228158
Reduced:	O3N5C23H33 (1)
Stoich.:	A3B5C23D33 (1)
Weight, g/mol:	200.159872
ΔH_f, kcal/mol:	-102.66
Dipole, Da:	4.97
IP(EA), eV:	-8.56(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-1-pentylsulfanylcyclopropane

Drug info:

PubChemData

Smile

CCOCC1=NC2=C(N1CC(C)(C)O)C3=CC=CC=C3N=C2NC(=O)[C@H](CC(C)C)N

DOS

IR

Vibrations