Geometry & MOs

Info

ID:	30230
PubChem CID:	840851
Reduced:	ON3C19H19 (1)
Stoich.:	AB3C19D19 (1)
Weight, g/mol:	245.080041
ΔH_f, kcal/mol:	32.2
Dipole, Da:	2.82
IP(EA), eV:	-8.61(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dihydroxy-N-(1H-pyrrol-2-ylmethylideneamino)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C=NNC(=O)CC2=CNC3=CC=CC=C32)C

DOS

IR

Vibrations