Geometry & MOs

Info

ID:	431160
PubChem CID:	135171230
Reduced:	BrN2O2H5C6 (1)
Stoich.:	AB2C2D5E6 (1)
Weight, g/mol:	401.227869
ΔH_f, kcal/mol:	-41.37
Dipole, Da:	5.19
IP(EA), eV:	-10.74(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-4-[(E)-2-fluoroethenyl]-N-[3-[(4-fluorophenyl)methylamino]cyclohexyl]-5-methyl-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1Br)C(=O)O

DOS

IR

Vibrations