Geometry & MOs

Info

ID:	144607
PubChem CID:	53388069
Reduced:	N2O5C12H20 (2)
Stoich.:	A2B5C12D20 (2)
Weight, g/mol:	223.1361
ΔH_f, kcal/mol:	-466.28
Dipole, Da:	3.22
IP(EA), eV:	-9.68(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hex-1-ynylphenyl)pyrrole

Drug info:

PubChemData

Smile

CCOC(=O)CN(C[C@H](COCCOCCOC)NC(=O)OC(C)(C)C)C(=O)CN1C=C(C(=O)NC1=O)C

DOS

IR

Vibrations