Geometry & MOs

Info

ID:	447241
PubChem CID:	135281395
Reduced:	Br2O2N3C22H25 (1)
Stoich.:	A2B2C3D22E25 (1)
Weight, g/mol:	441.10519
ΔH_f, kcal/mol:	-8.86
Dipole, Da:	6.53
IP(EA), eV:	-8.03(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-bromo-2-(cyclopropylmethoxy)-4-methoxyphenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)OCC2CC2)C3=CN4C=CC(=CC4=N3)N5CCCC5)Br.Br

DOS

IR

Vibrations