Geometry & MOs

Info

ID:	156196
PubChem CID:	56369479
Reduced:	BrON4C18H19 (1)
Stoich.:	ABC4D18E19 (1)
Weight, g/mol:	373.05382
ΔH_f, kcal/mol:	42.7
Dipole, Da:	3.0
IP(EA), eV:	-9.01(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-ethyl-N-[(6-imidazol-1-ylpyridin-3-yl)methyl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NCC2=CC=CC=C2CN3C=CC=N3)Br

DOS

IR

Vibrations