Geometry & MOs

Info

ID:	320200
PubChem CID:	126658682
Reduced:	NO3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	217.18305
ΔH_f, kcal/mol:	-129.22
Dipole, Da:	1.3
IP(EA), eV:	-9.38(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-butyl-6-propyl-5,7-dihydrocyclopenta[c]pyridine

Drug info:

PubChemData

Smile

C1CC[C@@H]([C@@H](C1)N2C(=O)CCC2=O)OCCC3=CC=CC=C3

DOS

IR

Vibrations