Geometry & MOs

Info

ID:	397504
PubChem CID:	135030310
Reduced:	NO2C20H25 (1)
Stoich.:	AB2C20D25 (1)
Weight, g/mol:	301.146664
ΔH_f, kcal/mol:	-8.66
Dipole, Da:	2.57
IP(EA), eV:	-8.25(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-methoxyphenyl)-3-phenylprop-2-ynyl]-1-methylpyrrole

Drug info:

PubChemData

Smile

CCCCC#CC(C1=CC(=C(C=C1)OC)OC)C2=CC=CN2C

DOS

IR

Vibrations