Geometry & MOs

Info

ID:	50104
PubChem CID:	12012607
Reduced:	NO3C21H21 (1)
Stoich.:	AB3C21D21 (1)
Weight, g/mol:	251.098
ΔH_f, kcal/mol:	-30.03
Dipole, Da:	4.68
IP(EA), eV:	-9.24(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-2,2,5,5-tetramethyl-4-thiophen-2-ylpyrrole-3-carbaldehyde

Drug info:

PubChemData

Smile

CC1(C(=C(C(N1O)(C)C)C2=CC=CC3=C2OC4=CC=CC=C34)C=O)C

DOS

IR

Vibrations