Geometry & MOs

Info

ID:	61955
PubChem CID:	26716262
Reduced:	BrN2O4C18H19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	395.16452
ΔH_f, kcal/mol:	-103.89
Dipole, Da:	2.27
IP(EA), eV:	-8.92(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-N'-[2-(4-methoxyphenyl)acetyl]-2,5-dimethylpyrrole-3-carbohydrazide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)NNC(=O)CCOC2=CC(=CC=C2)Br

DOS

IR

Vibrations