Geometry & MOs

Info

ID:	21916
PubChem CID:	593678
Reduced:	NC11H11 (1)
Stoich.:	AB11C11 (1)
Weight, g/mol:	157.089149
ΔH_f, kcal/mol:	68.52
Dipole, Da:	2.16
IP(EA), eV:	-8.54(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohepta-2,4,6-trien-1-yl-1H-pyrrole

Drug info:

PubChemData

Smile

C1=CC=CC(C=C1)C2=CC=CN2

DOS

IR

Vibrations