Geometry & MOs

Info

ID:	157000
PubChem CID:	56404831
Reduced:	N3O3C17H23 (1)
Stoich.:	A3B3C17D23 (1)
Weight, g/mol:	403.06439
ΔH_f, kcal/mol:	-50.31
Dipole, Da:	11.05
IP(EA), eV:	-9.45(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-ethyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)NC(=O)C1=CNC2=C1C=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations