Geometry & MOs

Info

ID:	291661
PubChem CID:	113456348
Reduced:	OCl2N2H12C13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	255.052302
ΔH_f, kcal/mol:	-3.51
Dipole, Da:	8.96
IP(EA), eV:	-8.95(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)Cl)CNC2=CC(=NC=C2)Cl

DOS

IR

Vibrations