Geometry & MOs

Info

ID:	375335
PubChem CID:	131499999
Reduced:	NO2H11C12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	231.046633
ΔH_f, kcal/mol:	-20.93
Dipole, Da:	6.5
IP(EA), eV:	-9.85(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-formyl-5-methyl-3-(2-methyl-1,3-thiazol-5-yl)-1H-pyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

C1COCC1C(=O)C2=CC=CC=C2C#N

DOS

IR

Vibrations