Geometry & MOs

Info

ID:	323556
PubChem CID:	126675465
Reduced:	N3C13H21 (1)
Stoich.:	A3B13C21 (1)
Weight, g/mol:	403.298748
ΔH_f, kcal/mol:	-7.8
Dipole, Da:	2.35
IP(EA), eV:	-8.44(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclononylmethyl)-2,6-bis(2,5-dimethylpyrrol-1-yl)pyridine

Drug info:

PubChemData

Smile

C1CCCC(CC1)CC2=CC(=NC(=C2)N)N

DOS

IR

Vibrations