Geometry & MOs

Info

ID:	156062
PubChem CID:	56368972
Reduced:	N3O3H19C24 (1)
Stoich.:	A3B3C19D24 (1)
Weight, g/mol:	414.05546
ΔH_f, kcal/mol:	-6.93
Dipole, Da:	5.74
IP(EA), eV:	-9.08(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-cyclopropyl-1-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=CC(=C(C=C2)O)C(=O)NC3=CC(=CC=C3)OC4=NC=CN=C4

DOS

IR

Vibrations