Geometry & MOs

Info

ID:	396903
PubChem CID:	135029409
Reduced:	ON3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	227.094629
ΔH_f, kcal/mol:	37.09
Dipole, Da:	3.19
IP(EA), eV:	-9.62(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-acetylphenyl)-1-methylpyrrole-2-carbaldehyde

Drug info:

PubChemData

Smile

C1CCC(C(C1)CC(=O)C2=CC=CC=C2)N=[N+]=[N-]

DOS

IR

Vibrations