Geometry & MOs

Info

ID:	155895
PubChem CID:	56368191
Reduced:	ClN4O4C21H23 (1)
Stoich.:	AB4C4D21E23 (1)
Weight, g/mol:	360.05857
ΔH_f, kcal/mol:	-89.82
Dipole, Da:	11.31
IP(EA), eV:	-9.18(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-ethyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C(C)COC)C)/C=C(/C#N)\C(=O)NNC(=O)C2=C(C=CC(=C2)Cl)O

DOS

IR

Vibrations