Geometry & MOs

Info

ID:	435719
PubChem CID:	135192244
Reduced:	N3O3H33C56 (1)
Stoich.:	A3B3C33D56 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	218.2
Dipole, Da:	7.28
IP(EA), eV:	-7.57(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,5-dimethylpyrrol-2-yl) 1,5-dimethylpyrrole-2-carboxylate

Drug info:

PubChemData

Smile

C=C1/C=C\C2=CC=CC=C2CC3=C(O1)C(=CC4=CC=CC=C34)C5=NC(=NC(=N5)C6=CC7=CC=CC=C7C8=C6OC9=C8C1=CC=CC=C1C=C9)C1=CC=CC2=C1OC1=CC=CC=C21

DOS

IR

Vibrations