Geometry & MOs

Info

ID:	378212
PubChem CID:	134224288
Reduced:	N2O3C22H22 (1)
Stoich.:	A2B3C22D22 (1)
Weight, g/mol:	357.136493
ΔH_f, kcal/mol:	-25.09
Dipole, Da:	6.89
IP(EA), eV:	-9.15(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-benzoyl-2-ethenyl-3-[(Z)-prop-1-enyl]pyrrol-1-yl]benzoic acid

Drug info:

PubChemData

Smile

C/C=C\C(=C(\N)/OC1=CC=CC(=C1)C)\C(=NC2=CC=C(C=C2)C(=O)O)C=C

DOS

IR

Vibrations