Geometry & MOs

Info

ID:	155981
PubChem CID:	56368592
Reduced:	BrN2O2C18H23 (1)
Stoich.:	AB2C2D18E23 (1)
Weight, g/mol:	418.08045
ΔH_f, kcal/mol:	-59.34
Dipole, Da:	2.49
IP(EA), eV:	-9.22(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-ethyl-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NCC2=CC=CC=C2COC(C)C)Br

DOS

IR

Vibrations