Geometry & MOs

Info

ID:	328788
PubChem CID:	126727777
Reduced:	OC26H36 (1)
Stoich.:	AB26C36 (1)
Weight, g/mol:	214.146999
ΔH_f, kcal/mol:	3.76
Dipole, Da:	1.83
IP(EA), eV:	-8.61(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-tert-butyl-3-methyl-2H-pyrrol-2-yl)pyridine

Drug info:

PubChemData

Smile

CCCCC/C/1=C(/C=C(\C(=C/CC1)\C)/C(=C)CC2C=CC=CC(=C2)C)\OC

DOS

IR

Vibrations