Geometry & MOs

Info

ID:	39037
PubChem CID:	8138411
Reduced:	BrN4O4H9C12 (1)
Stoich.:	AB4C4D9E12 (1)
Weight, g/mol:	349.082934
ΔH_f, kcal/mol:	-8.42
Dipole, Da:	6.14
IP(EA), eV:	-9.73(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

C1=CNC(=C1)C(=O)NNC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

DOS

IR

Vibrations