Geometry & MOs

Info

ID:	397498
PubChem CID:	135030304
Reduced:	NOC23H25 (1)
Stoich.:	ABC23D25 (1)
Weight, g/mol:	281.177964
ΔH_f, kcal/mol:	43.63
Dipole, Da:	3.36
IP(EA), eV:	-8.18(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-methoxyphenyl)hept-2-ynyl]-1-methylpyrrole

Drug info:

PubChemData

Smile

CCCCC#CC(C1=CC=C(C=C1)OC)C2=C(NC3=CC=CC=C32)C

DOS

IR

Vibrations