Geometry & MOs

Info

ID:	180465
PubChem CID:	76637730
Reduced:	ON5H19C21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	282.148061
ΔH_f, kcal/mol:	116.62
Dipole, Da:	8.71
IP(EA), eV:	-9.18(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-3-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)imidazol-4-one

Drug info:

PubChemData

Smile

C1CC1CNC2=NC(=CC3C=NC4=C3C=CC=N4)C(=O)N2C5=CC=CC=C5

DOS

IR

Vibrations