Geometry & MOs

Info

ID:	38934
PubChem CID:	8138189
Reduced:	BrN3O4C16H18 (1)
Stoich.:	AB3C4D16E18 (1)
Weight, g/mol:	313.142641
ΔH_f, kcal/mol:	-89.93
Dipole, Da:	2.5
IP(EA), eV:	-9.44(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1Br)C(=O)NNC(=O)C2=CC=CN2)OC

DOS

IR

Vibrations