Geometry & MOs

Info

ID:	61737
PubChem CID:	26712258
Reduced:	NO5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	369.088019
ΔH_f, kcal/mol:	-138.78
Dipole, Da:	4.65
IP(EA), eV:	-8.24(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC3=C(C=C2)OCCCO3)OC

DOS

IR

Vibrations