Geometry & MOs

Info

ID:	1225
PubChem CID:	4014
Reduced:	N2O3H14C15 (1)
Stoich.:	A2B3C14D15 (1)
Weight, g/mol:	270.100442
ΔH_f, kcal/mol:	-29.2
Dipole, Da:	6.22
IP(EA), eV:	-9.33(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-3-[4-(4-methylbenzoyl)-1H-pyrrol-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)C2=CNC(=C2)C=CC(=O)NO

DOS

IR

Vibrations