Geometry & MOs

Info

ID:	1226
PubChem CID:	4015
Reduced:	N3O3C16H17 (1)
Stoich.:	A3B3C16D17 (1)
Weight, g/mol:	299.126991
ΔH_f, kcal/mol:	-20.33
Dipole, Da:	8.52
IP(EA), eV:	-8.49(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[4-(dimethylamino)benzoyl]-1H-pyrrol-2-yl]-N-hydroxyprop-2-enamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations