Geometry & MOs

Info

ID:	165890
PubChem CID:	74610343
Reduced:	O3N4C21H39 (1)
Stoich.:	A3B4C21D39 (1)
Weight, g/mol:	428.172752
ΔH_f, kcal/mol:	-134.0
Dipole, Da:	8.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754659
Charge, e:	0

Chem-info

IUPAC name:

[6-chloro-3-[(2-pyrazin-2-ylethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C[NH+]1CCCC1)NC(=O)C2CCC(=O)N(C2)CCCN3CCOCC3

DOS

IR

Vibrations