Geometry & MOs

Info

ID:	191033
PubChem CID:	78096138
Reduced:	BrC5H7 (2)
Stoich.:	AB5C7 (2)
Weight, g/mol:	448.08987
ΔH_f, kcal/mol:	5.69
Dipole, Da:	0.13
IP(EA), eV:	-9.3(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-2,3-dihydro-1H-inden-1-yl)-2-ethyl-5-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-4-one

Drug info:

PubChemData

Smile

CC(=C(C=CC(=C(C)C)Br)Br)C

DOS

IR

Vibrations