Geometry & MOs

Info

ID:	39006
PubChem CID:	8138338
Reduced:	N3O4C19H23 (1)
Stoich.:	A3B4C19D23 (1)
Weight, g/mol:	351.02185
ΔH_f, kcal/mol:	-89.88
Dipole, Da:	2.74
IP(EA), eV:	-8.43(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(2S)-2-(4-bromophenoxy)propanoyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)/C=C/C(=O)NNC(=O)C2=CC=CN2)OCC

DOS

IR

Vibrations