Geometry & MOs

Info

ID:	407508
PubChem CID:	135080253
Reduced:	NO2C9H11 (1)
Stoich.:	AB2C9D11 (1)
Weight, g/mol:	325.03275
ΔH_f, kcal/mol:	-28.76
Dipole, Da:	5.12
IP(EA), eV:	-9.12(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R,3aS)-2-(iodomethyl)-2,3,3a,4,5,6-hexahydropentalen-1-yl]pyridine

Drug info:

PubChemData

Smile

C=CCC(=C=C)N1CCOC1=O

DOS

IR

Vibrations