Geometry & MOs

Info

ID:	397503
PubChem CID:	135030309
Reduced:	NO2C23H25 (1)
Stoich.:	AB2C23D25 (1)
Weight, g/mol:	311.188529
ΔH_f, kcal/mol:	8.02
Dipole, Da:	2.02
IP(EA), eV:	-8.12(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3,4-dimethoxyphenyl)hept-2-ynyl]-1-methylpyrrole

Drug info:

PubChemData

Smile

CCCCC#CC(C1=CC(=C(C=C1)OC)OC)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations