Geometry & MOs

Info

ID:	375358
PubChem CID:	131500075
Reduced:	NO5H7C10 (1)
Stoich.:	AB5C7D10 (1)
Weight, g/mol:	207.071785
ΔH_f, kcal/mol:	-80.89
Dipole, Da:	2.96
IP(EA), eV:	-10.26(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-4H-thieno[3,2-b]pyrrole-2-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1[N+](=O)[O-])OC(=C2)C(=O)O

DOS

IR

Vibrations