Geometry & MOs

Info

ID:	140481
PubChem CID:	52706501
Reduced:	ClNO4C21H24 (1)
Stoich.:	ABC4D21E24 (1)
Weight, g/mol:	397.119319
ΔH_f, kcal/mol:	-119.84
Dipole, Da:	4.02
IP(EA), eV:	-8.61(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1Cl)/C=C/C(=O)NCCOC2=CC=CC=C2C)OC

DOS

IR

Vibrations